1-benzyl-N-methoxypyrrole-2-carboxamide

C13H14N2O2 — CID 52568041

IUPAC1-benzyl-N-methoxypyrrole-2-carboxamide
SMILESCONC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-17-14-13(16)12-8-5-9-15(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
InChIKeyRUHSKMNHLSWASC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds4

About 1-benzyl-N-methoxypyrrole-2-carboxamide

1-benzyl-N-methoxypyrrole-2-carboxamide (PubChem CID 52568041) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-benzyl-N-methoxypyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methoxypyrrole-2-carboxamide
PubChem CID52568041
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-benzyl-N-methoxypyrrole-2-carboxamide
SMILESCONC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-17-14-13(16)12-8-5-9-15(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
InChIKeyRUHSKMNHLSWASC-UHFFFAOYSA-N
XLogP1.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
methyl (3S)-3-[(1-benzylpyrrole-2-carbonyl)amino]butanoate
CID 95933774
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-benzyl-N'-[2-(4-methoxyanilino)acetyl]pyrrole-2-carbohydrazide
CID 55555139
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide
CID 113250333
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide
CID 114383386
1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
CID 24711857
1-(1-benzylpyrrol-2-yl)-2-chloro-2-methylpropan-1-one;ethane
CID 142905461
1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223649
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 107422969

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methoxypyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-methoxypyrrole-2-carboxamide (CID 52568041) is 1-benzyl-N-methoxypyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-methoxypyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-methoxypyrrole-2-carboxamide is CONC(=O)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-methoxypyrrole-2-carboxamide?
The InChIKey is RUHSKMNHLSWASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-14-13(16)12-8-5-9-15(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16).
What are the key properties of 1-benzyl-N-methoxypyrrole-2-carboxamide?
1-benzyl-N-methoxypyrrole-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methoxypyrrole-2-carboxamide is sourced from PubChem (CID 52568041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).