4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

C13H13ClN2O2 — CID 18104585

IUPAC4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C13H13ClN2O2/c1-18-11-4-2-3-9(5-11)7-16-13(17)12-6-10(14)8-15-12/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyBHSXGPKVOPOLBA-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 18104585) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID18104585
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C13H13ClN2O2/c1-18-11-4-2-3-9(5-11)7-16-13(17)12-6-10(14)8-15-12/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyBHSXGPKVOPOLBA-UHFFFAOYSA-N
XLogP2.61
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522336
4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 51129338
N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18104587
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 18104585) is 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is COc1cccc(CNC(=O)c2cc(Cl)c[nH]2)c1.
What is the InChIKey of 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is BHSXGPKVOPOLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-18-11-4-2-3-9(5-11)7-16-13(17)12-6-10(14)8-15-12/h2-6,8,15H,7H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18104585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).