2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid

C20H18N2O4 — CID 91104079

IUPAC2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid
SMILESCOCc1cc(C(=O)Nc2ccccc2-n2cccc2)ccc1C(=O)O
InChIInChI=1S/C20H18N2O4/c1-26-13-15-12-14(8-9-16(15)20(24)25)19(23)21-17-6-2-3-7-18(17)22-10-4-5-11-22/h2-12H,13H2,1H3,(H,21,23)(H,24,25)
InChIKeyQEJYZDXDBQHHKG-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.57
Rot. Bonds6

About 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid

2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid (PubChem CID 91104079) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid
PubChem CID91104079
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid
SMILESCOCc1cc(C(=O)Nc2ccccc2-n2cccc2)ccc1C(=O)O
InChIInChI=1S/C20H18N2O4/c1-26-13-15-12-14(8-9-16(15)20(24)25)19(23)21-17-6-2-3-7-18(17)22-10-4-5-11-22/h2-12H,13H2,1H3,(H,21,23)(H,24,25)
InChIKeyQEJYZDXDBQHHKG-UHFFFAOYSA-N
XLogP3.57
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(methoxymethyl)-N-(2-methylphenyl)benzamide
CID 57264784
3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide
CID 4689852
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
CID 45340861
2-amino-N-[2-(methoxymethyl)-4-[(2-piperidin-1-ylphenyl)carbamoyl]phenyl]-3-nitrobenzamide
CID 91327314
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
N-(2-pyrrol-1-ylphenyl)propanamide
CID 4048340
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
CID 11390757

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid (CID 91104079) is 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid is COCc1cc(C(=O)Nc2ccccc2-n2cccc2)ccc1C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid?
The InChIKey is QEJYZDXDBQHHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-26-13-15-12-14(8-9-16(15)20(24)25)19(23)21-17-6-2-3-7-18(17)22-10-4-5-11-22/h2-12H,13H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid?
2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid has a molecular weight of 350.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[(2-pyrrol-1-ylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 91104079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).