N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide

C16H15ClN2O2 — CID 1489265

IUPACN-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(C(=O)C2CC2)c[nH]1
InChIInChI=1S/C16H15ClN2O2/c17-13-4-2-1-3-11(13)8-19-16(21)14-7-12(9-18-14)15(20)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,19,21)
InChIKeyQKKFIUCRSGPYSZ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.19
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide

N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide (PubChem CID 1489265) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide
PubChem CID1489265
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(C(=O)C2CC2)c[nH]1
InChIInChI=1S/C16H15ClN2O2/c17-13-4-2-1-3-11(13)8-19-16(21)14-7-12(9-18-14)15(20)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,19,21)
InChIKeyQKKFIUCRSGPYSZ-UHFFFAOYSA-N
XLogP3.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Pyrrolopyridine, 20
CID 16720090
2-(2-chloropyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 16720432
4-[2,3-Bis(Chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-Bis(Chloranyl)phenyl]carbonyl-1-Methyl-Pyrrol-2-Yl]carbonylamino]ethyl]-1-Methyl-Pyrrole-2-Carboxamide
CID 127021031
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2226536
4-acetyl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
CID 1489220
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]-1-ethanone
CID 2763608
(2-Amino-5-chlorophenyl)(1H-pyrrol-2-yl)methanone
CID 284707
N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
CID 1481809
4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 1478396
N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 1473194
4-(4-Chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 1482334

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide (CID 1489265) is N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide is O=C(NCc1ccccc1Cl)c1cc(C(=O)C2CC2)c[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QKKFIUCRSGPYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-13-4-2-1-3-11(13)8-19-16(21)14-7-12(9-18-14)15(20)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1489265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).