1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide

C25H34Cl2N2O2 — CID 70948795

IUPAC1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide
SMILESCC1=C(C(=O)N[C@@H]2CCCC[C@@H]2O)CC(c2ccc(Cl)cc2Cl)N1CC1CCCCC1
InChIInChI=1S/C25H34Cl2N2O2/c1-16-20(25(31)28-22-9-5-6-10-24(22)30)14-23(19-12-11-18(26)13-21(19)27)29(16)15-17-7-3-2-4-8-17/h11-13,17,22-24,30H,2-10,14-15H2,1H3,(H,28,31)/t22-,23?,24+/m1/s1
InChIKeyIOWBCTORBSKDTK-BGTNVORWSA-N
MW465.47 g/mol
LogP6.01
Rot. Bonds5

About 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide

1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide (PubChem CID 70948795) has the molecular formula C25H34Cl2N2O2 and a molecular weight of 465.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide
PubChem CID70948795
Molecular FormulaC25H34Cl2N2O2
Molecular Weight465.47 g/mol
Exact Mass464.20
IUPAC Name1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide
SMILESCC1=C(C(=O)N[C@@H]2CCCC[C@@H]2O)CC(c2ccc(Cl)cc2Cl)N1CC1CCCCC1
InChIInChI=1S/C25H34Cl2N2O2/c1-16-20(25(31)28-22-9-5-6-10-24(22)30)14-23(19-12-11-18(26)13-21(19)27)29(16)15-17-7-3-2-4-8-17/h11-13,17,22-24,30H,2-10,14-15H2,1H3,(H,28,31)/t22-,23?,24+/m1/s1
InChIKeyIOWBCTORBSKDTK-BGTNVORWSA-N
XLogP6.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-1-(cyclohexylmethyl)-5-methyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
CID 70948749
1-(cyclohexylmethyl)-5-(2,4-dichloro-5-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylpyrrole-3-carboxamide
CID 58998979
2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956681
5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62359667
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide
CID 104927518
5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide
CID 21109591
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
CID 111798227

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide (CID 70948795) is 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide is CC1=C(C(=O)N[C@@H]2CCCC[C@@H]2O)CC(c2ccc(Cl)cc2Cl)N1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide?
The InChIKey is IOWBCTORBSKDTK-BGTNVORWSA-N. The full InChI is InChI=1S/C25H34Cl2N2O2/c1-16-20(25(31)28-22-9-5-6-10-24(22)30)14-23(19-12-11-18(26)13-21(19)27)29(16)15-17-7-3-2-4-8-17/h11-13,17,22-24,30H,2-10,14-15H2,1H3,(H,28,31)/t22-,23?,24+/m1/s1.
What are the key properties of 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide?
1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide has a molecular weight of 465.47 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-5-methyl-2,3-dihydropyrrole-4-carboxamide is sourced from PubChem (CID 70948795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).