N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide

C12H11ClN2O — CID 110695775

IUPACN-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O/c1-8-11(5-6-14-8)12(16)15-10-4-2-3-9(13)7-10/h2-7,14H,1H3,(H,15,16)
InChIKeyIKCXHWSUVGYZIP-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.23
Rot. Bonds2

About N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide

N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 110695775) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID110695775
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC NameN-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O/c1-8-11(5-6-14-8)12(16)15-10-4-2-3-9(13)7-10/h2-7,14H,1H3,(H,15,16)
InChIKeyIKCXHWSUVGYZIP-UHFFFAOYSA-N
XLogP3.23
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
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N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
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N-(3-chlorophenyl)-2-fluorobenzamide
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CID 141109827
N-(3-chlorophenyl)-1H-indole-5-carboxamide
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5-chloro-N-(3-chlorophenyl)-2-hydrazinylbenzamide
CID 55052324
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
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N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97101295

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide (CID 110695775) is N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is IKCXHWSUVGYZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-11(5-6-14-8)12(16)15-10-4-2-3-9(13)7-10/h2-7,14H,1H3,(H,15,16).
What are the key properties of N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 234.69 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110695775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).