5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide

C20H25ClN2O — CID 142919716

IUPAC5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCc1cc(Cl)ccc1-c1cc(C(N)=O)c(C)n1CC1CCCCC1
InChIInChI=1S/C20H25ClN2O/c1-13-10-16(21)8-9-17(13)19-11-18(20(22)24)14(2)23(19)12-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H2,22,24)
InChIKeyPVMMBUAGVPNXDM-UHFFFAOYSA-N
MW344.89 g/mol
LogP5.10
Rot. Bonds4

About 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide

5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide (PubChem CID 142919716) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
PubChem CID142919716
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCc1cc(Cl)ccc1-c1cc(C(N)=O)c(C)n1CC1CCCCC1
InChIInChI=1S/C20H25ClN2O/c1-13-10-16(21)8-9-17(13)19-11-18(20(22)24)14(2)23(19)12-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H2,22,24)
InChIKeyPVMMBUAGVPNXDM-UHFFFAOYSA-N
XLogP5.10
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.89
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide (CID 142919716) is 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide is Cc1cc(Cl)ccc1-c1cc(C(N)=O)c(C)n1CC1CCCCC1.
What is the InChIKey of 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is PVMMBUAGVPNXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-13-10-16(21)8-9-17(13)19-11-18(20(22)24)14(2)23(19)12-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H2,22,24).
What are the key properties of 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide?
5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 344.89 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 142919716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).