2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine

C74H82Br2Cl3F10N6O17P — CID 160949481

IUPAC2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine
SMILESCCOP(=O)(OCC)C(F)(F)Br.COc1cc(OC(F)F)c(-c2cn3ccc(N4CC[C@H](C)C4)cc3n2)cc1Cl.COc1cc(OC(F)F)c(C(=O)CBr)cc1Cl.COc1cc(OC(F)F)c(C(C)=O)cc1Cl.COc1ccc(C(C)=O)c(O)c1.COc1ccc(C(C)=O)c(OC(F)F)c1.C[C@H]1CCN(c2ccnc(N)c2)C1
InChIInChI=1S/C20H20ClF2N3O2.C10H8BrClF2O3.C10H9ClF2O3.C10H10F2O3.C10H15N3.C9H10O3.C5H10BrF2O3P/c1-12-3-5-25(10-12)13-4-6-26-11-16(24-19(26)7-13)14-8-15(21)18(27-2)9-17(14)28-20(22)23;1-16-9-3-8(17-10(13)14)5(2-6(9)12)7(15)4-11;1-5(14)6-3-7(11)9(15-2)4-8(6)16-10(12)13;1-6(13)8-4-3-7(14-2)5-9(8)15-10(11)12;1-8-3-5-13(7-8)9-2-4-12-10(11)6-9;1-6(10)8-4-3-7(12-2)5-9(8)11;1-3-10-12(9,11-4-2)5(6,7)8/h4,6-9,11-12,20H,3,5,10H2,1-2H3;2-3,10H,4H2,1H3;3-4,10H,1-2H3;3-5,10H,1-2H3;2,4,6,8H,3,5,7H2,1H3,(H2,11,12);3-5,11H,1-2H3;3-4H2,1-2H3/t12-;;;;8-;;/m0...0../s1
InChIKeySVOIFRUFVHCODV-ZGIJKDECSA-N
MW1814.62 g/mol
LogP20.60
Rot. Bonds26

About 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine

2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine (PubChem CID 160949481) has the molecular formula C74H82Br2Cl3F10N6O17P and a molecular weight of 1814.62 g/mol. Its IUPAC name is 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine
PubChem CID160949481
Molecular FormulaC74H82Br2Cl3F10N6O17P
Molecular Weight1814.62 g/mol
Exact Mass1810.27
IUPAC Name2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine
SMILESCCOP(=O)(OCC)C(F)(F)Br.COc1cc(OC(F)F)c(-c2cn3ccc(N4CC[C@H](C)C4)cc3n2)cc1Cl.COc1cc(OC(F)F)c(C(=O)CBr)cc1Cl.COc1cc(OC(F)F)c(C(C)=O)cc1Cl.COc1ccc(C(C)=O)c(O)c1.COc1ccc(C(C)=O)c(OC(F)F)c1.C[C@H]1CCN(c2ccnc(N)c2)C1
InChIInChI=1S/C20H20ClF2N3O2.C10H8BrClF2O3.C10H9ClF2O3.C10H10F2O3.C10H15N3.C9H10O3.C5H10BrF2O3P/c1-12-3-5-25(10-12)13-4-6-26-11-16(24-19(26)7-13)14-8-15(21)18(27-2)9-17(14)28-20(22)23;1-16-9-3-8(17-10(13)14)5(2-6(9)12)7(15)4-11;1-5(14)6-3-7(11)9(15-2)4-8(6)16-10(12)13;1-6(13)8-4-3-7(14-2)5-9(8)15-10(11)12;1-8-3-5-13(7-8)9-2-4-12-10(11)6-9;1-6(10)8-4-3-7(12-2)5-9(8)11;1-3-10-12(9,11-4-2)5(6,7)8/h4,6-9,11-12,20H,3,5,10H2,1-2H3;2-3,10H,4H2,1H3;3-4,10H,1-2H3;3-5,10H,1-2H3;2,4,6,8H,3,5,7H2,1H3,(H2,11,12);3-5,11H,1-2H3;3-4H2,1-2H3/t12-;;;;8-;;/m0...0../s1
InChIKeySVOIFRUFVHCODV-ZGIJKDECSA-N
XLogP20.60
TPSA269.80 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.62
LogP ≤ 520.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine with MolForge

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Related Compounds

2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-6-hydroxy-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine
CID 158340244
2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-phenylmethoxyphenyl]ethanone;3-chloro-N,N-dimethylpropan-1-amine;1-[5-chloro-4-(hydroxymethyl)-2-phenylmethoxyphenyl]ethanone;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyridin-2-yl)phenol;1-[2-hydroxy-4-(hydroxymethyl)phenyl]ethanone;1-[4-(hydroxymethyl)-2-phenylmethoxyphenyl]ethanone;oxolane;4-piperidin-1-ylpyridin-2-amine;sulfuryl dichloride;hydrochloride
CID 159186775
2-bromo-1-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)ethanone;tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate;3-chloro-N,N-dimethylpropan-1-amine;2-(5-chloro-4-methoxy-2-phenylmethoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyrimidine;3-[4-chloro-5-methoxy-2-(7-piperazin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenol;3-[4-chloro-5-methoxy-2-(7-piperidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)phenoxy]-N,N-dimethylpropan-1-amine;oxolane;hydrochloride
CID 159661514

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine (CID 160949481) is 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine is CCOP(=O)(OCC)C(F)(F)Br.COc1cc(OC(F)F)c(-c2cn3ccc(N4CC[C@H](C)C4)cc3n2)cc1Cl.COc1cc(OC(F)F)c(C(=O)CBr)cc1Cl.COc1cc(OC(F)F)c(C(C)=O)cc1Cl.COc1ccc(C(C)=O)c(O)c1.COc1ccc(C(C)=O)c(OC(F)F)c1.C[C@H]1CCN(c2ccnc(N)c2)C1.
What is the InChIKey of 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is SVOIFRUFVHCODV-ZGIJKDECSA-N. The full InChI is InChI=1S/C20H20ClF2N3O2.C10H8BrClF2O3.C10H9ClF2O3.C10H10F2O3.C10H15N3.C9H10O3.C5H10BrF2O3P/c1-12-3-5-25(10-12)13-4-6-26-11-16(24-19(26)7-13)14-8-15(21)18(27-2)9-17(14)28-20(22)23;1-16-9-3-8(17-10(13)14)5(2-6(9)12)7(15)4-11;1-5(14)6-3-7(11)9(15-2)4-8(6)16-10(12)13;1-6(13)8-4-3-7(14-2)5-9(8)15-10(11)12;1-8-3-5-13(7-8)9-2-4-12-10(11)6-9;1-6(10)8-4-3-7(12-2)5-9(8)11;1-3-10-12(9,11-4-2)5(6,7)8/h4,6-9,11-12,20H,3,5,10H2,1-2H3;2-3,10H,4H2,1H3;3-4,10H,1-2H3;3-5,10H,1-2H3;2,4,6,8H,3,5,7H2,1H3,(H2,11,12);3-5,11H,1-2H3;3-4H2,1-2H3/t12-;;;;8-;;/m0...0../s1.
What are the key properties of 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine?
2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 1814.62 g/mol, XLogP of 20.60, 26 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane;1-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]ethanone;2-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]-7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridine;1-[2-(difluoromethoxy)-4-methoxyphenyl]ethanone;1-(2-hydroxy-4-methoxyphenyl)ethanone;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 160949481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).