2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide

C14H16N2O3 — CID 103721972

IUPAC2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccn(C)c2)c1O
InChIInChI=1S/C14H16N2O3/c1-16-7-6-10(9-16)8-15-14(18)11-4-3-5-12(19-2)13(11)17/h3-7,9,17H,8H2,1-2H3,(H,15,18)
InChIKeyQJUTUPPIFVJMPO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.67
Rot. Bonds4

About 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide

2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide (PubChem CID 103721972) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide
PubChem CID103721972
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccn(C)c2)c1O
InChIInChI=1S/C14H16N2O3/c1-16-7-6-10(9-16)8-15-14(18)11-4-3-5-12(19-2)13(11)17/h3-7,9,17H,8H2,1-2H3,(H,15,18)
InChIKeyQJUTUPPIFVJMPO-UHFFFAOYSA-N
XLogP1.67
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 11748334
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
2-bromo-N-[(1-methylpyrrol-3-yl)methyl]-3-nitrobenzamide
CID 106547494
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
CID 113257065
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide (CID 103721972) is 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide is COc1cccc(C(=O)NCc2ccn(C)c2)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
The InChIKey is QJUTUPPIFVJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-7-6-10(9-16)8-15-14(18)11-4-3-5-12(19-2)13(11)17/h3-7,9,17H,8H2,1-2H3,(H,15,18).
What are the key properties of 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide?
2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide has a molecular weight of 260.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide is sourced from PubChem (CID 103721972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).