2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C13H14N2O2 — CID 103713795

IUPAC2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CNC(=O)c1ccccc1O
InChIInChI=1S/C13H14N2O2/c1-15-8-4-5-10(15)9-14-13(17)11-6-2-3-7-12(11)16/h2-8,16H,9H2,1H3,(H,14,17)
InChIKeyZUDMBRIXRAEPPG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.66
Rot. Bonds3

About 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide

2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 103713795) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID103713795
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CNC(=O)c1ccccc1O
InChIInChI=1S/C13H14N2O2/c1-15-8-4-5-10(15)9-14-13(17)11-6-2-3-7-12(11)16/h2-8,16H,9H2,1H3,(H,14,17)
InChIKeyZUDMBRIXRAEPPG-UHFFFAOYSA-N
XLogP1.66
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461
N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106422181
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-7-carboxamide
CID 103713426
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 103713795) is 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide is Cn1cccc1CNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is ZUDMBRIXRAEPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-8-4-5-10(15)9-14-13(17)11-6-2-3-7-12(11)16/h2-8,16H,9H2,1H3,(H,14,17).
What are the key properties of 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 103713795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).