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

C15H16N2O3 — CID 1489218

IUPAC4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C15H16N2O3/c1-10(18)12-7-13(16-9-12)15(19)17-8-11-5-3-4-6-14(11)20-2/h3-7,9,16H,8H2,1-2H3,(H,17,19)
InChIKeyNWIXNHPJXHBVMZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.16
Rot. Bonds5

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

4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 1489218) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID1489218
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C15H16N2O3/c1-10(18)12-7-13(16-9-12)15(19)17-8-11-5-3-4-6-14(11)20-2/h3-7,9,16H,8H2,1-2H3,(H,17,19)
InChIKeyNWIXNHPJXHBVMZ-UHFFFAOYSA-N
XLogP2.16
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 71616297
N-(3-methoxy-4-methylphenyl)picolinamide
CID 44191178
4-acetyl-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489221
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
CID 24820011
N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
CID 1489193
4-acetyl-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866996
4-acetyl-N-(2-methoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867006
4-(cyclopropylcarbonyl)-N-(4-methoxybenzyl)-1H-pyrrole-2-carboxamide
CID 1489263
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
N-[(E)-(dimethylamino)methylidene]-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 3713600

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 1489218) is 4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is COc1ccccc1CNC(=O)c1cc(C(C)=O)c[nH]1.
What is the InChIKey of 4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NWIXNHPJXHBVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(18)12-7-13(16-9-12)15(19)17-8-11-5-3-4-6-14(11)20-2/h3-7,9,16H,8H2,1-2H3,(H,17,19).
What are the key properties of 4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1489218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).