N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride

C31H30ClF10N3O5 — CID 158299520

IUPACN-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride
SMILESCCC1CC(=O)N(Cc2cccc(NC(=O)C(F)(F)C(F)(F)F)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1.O=C(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C28H30F5N3O4.C3ClF5O/c1-3-18-15-24(37)36(16-17-7-6-8-20(13-17)34-26(38)27(29,30)28(31,32)33)35-25(18)19-11-12-22(39-2)23(14-19)40-21-9-4-5-10-21;4-1(10)2(5,6)3(7,8)9/h6-8,11-14,18,21H,3-5,9-10,15-16H2,1-2H3,(H,34,38);
InChIKeyGMIGCHBIGHUPRQ-UHFFFAOYSA-N
MW750.03 g/mol
LogP8.26
Rot. Bonds10

About N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride

N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride (PubChem CID 158299520) has the molecular formula C31H30ClF10N3O5 and a molecular weight of 750.03 g/mol. Its IUPAC name is N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride.

Molecular Properties

Compound NameN-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride
PubChem CID158299520
Molecular FormulaC31H30ClF10N3O5
Molecular Weight750.03 g/mol
Exact Mass749.17
IUPAC NameN-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride
SMILESCCC1CC(=O)N(Cc2cccc(NC(=O)C(F)(F)C(F)(F)F)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1.O=C(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C28H30F5N3O4.C3ClF5O/c1-3-18-15-24(37)36(16-17-7-6-8-20(13-17)34-26(38)27(29,30)28(31,32)33)35-25(18)19-11-12-22(39-2)23(14-19)40-21-9-4-5-10-21;4-1(10)2(5,6)3(7,8)9/h6-8,11-14,18,21H,3-5,9-10,15-16H2,1-2H3,(H,34,38);
InChIKeyGMIGCHBIGHUPRQ-UHFFFAOYSA-N
XLogP8.26
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.03
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride with MolForge

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Related Compounds

N-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623582
N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623609
N-[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623510
6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-2-[(3-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623347
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623569
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10205542
methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate
CID 174461803
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetyl chloride
CID 158765134
methyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623316
ethyl carbonochloridate;ethyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 158088402
N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 174367871
N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 174474431

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride?
The IUPAC name of N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride (CID 158299520) is N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride.
What is the SMILES notation for N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride?
The canonical SMILES for N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride is CCC1CC(=O)N(Cc2cccc(NC(=O)C(F)(F)C(F)(F)F)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1.O=C(Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride?
The InChIKey is GMIGCHBIGHUPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F5N3O4.C3ClF5O/c1-3-18-15-24(37)36(16-17-7-6-8-20(13-17)34-26(38)27(29,30)28(31,32)33)35-25(18)19-11-12-22(39-2)23(14-19)40-21-9-4-5-10-21;4-1(10)2(5,6)3(7,8)9/h6-8,11-14,18,21H,3-5,9-10,15-16H2,1-2H3,(H,34,38);.
What are the key properties of N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride?
N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride has a molecular weight of 750.03 g/mol, XLogP of 8.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride is sourced from PubChem (CID 158299520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).