N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide

C20H19N3O2 — CID 134022751

IUPACN-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccn2Cc2ccccc2)c1
InChIInChI=1S/C20H19N3O2/c1-15(24)21-17-9-5-10-18(13-17)22-20(25)19-11-6-12-23(19)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyOVHOCTLEHBVPQX-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.75
Rot. Bonds5

About N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide

N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide (PubChem CID 134022751) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
PubChem CID134022751
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccn2Cc2ccccc2)c1
InChIInChI=1S/C20H19N3O2/c1-15(24)21-17-9-5-10-18(13-17)22-20(25)19-11-6-12-23(19)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyOVHOCTLEHBVPQX-UHFFFAOYSA-N
XLogP3.75
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide
CID 134028017
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325438
1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223649
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 55653979
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56557962
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 52575128
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide (CID 134022751) is N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cccn2Cc2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide?
The InChIKey is OVHOCTLEHBVPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15(24)21-17-9-5-10-18(13-17)22-20(25)19-11-6-12-23(19)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide?
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide is sourced from PubChem (CID 134022751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).