4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide

C14H15ClN2O — CID 39996078

IUPAC4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H15ClN2O/c1-9-5-3-4-6-12(9)10(2)17-14(18)13-7-11(15)8-16-13/h3-8,10,16H,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyCCPOZTCGRCNXPO-SNVBAGLBSA-N
MW262.74 g/mol
LogP3.47
Rot. Bonds3

About 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 39996078) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID39996078
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H15ClN2O/c1-9-5-3-4-6-12(9)10(2)17-14(18)13-7-11(15)8-16-13/h3-8,10,16H,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyCCPOZTCGRCNXPO-SNVBAGLBSA-N
XLogP3.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134012860
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 47118898
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523
4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 130921065
4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 126450169
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 28741778
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
CID 60659511
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 28741107
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 39996078) is 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide is Cc1ccccc1[C@@H](C)NC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is CCPOZTCGRCNXPO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-5-3-4-6-12(9)10(2)17-14(18)13-7-11(15)8-16-13/h3-8,10,16H,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 39996078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).