2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid

C17H16N2O4 — CID 56763571

IUPAC2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid
SMILESCNC(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16N2O4/c1-18-16(21)12-6-4-7-13(9-12)19-15(20)10-11-5-2-3-8-14(11)17(22)23/h2-9H,10H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyUEMAXIJRTGCKCQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.93
Rot. Bonds5

About 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid

2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid (PubChem CID 56763571) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid
PubChem CID56763571
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid
SMILESCNC(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16N2O4/c1-18-16(21)12-6-4-7-13(9-12)19-15(20)10-11-5-2-3-8-14(11)17(22)23/h2-9H,10H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyUEMAXIJRTGCKCQ-UHFFFAOYSA-N
XLogP1.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide
CID 18144354
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
N-methyl-3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzamide
CID 51165469
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
2-[2-(3-cyanoanilino)-2-oxoethyl]benzoic acid
CID 53368897
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]benzoic acid
CID 1321809

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid (CID 56763571) is 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid is CNC(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid?
The InChIKey is UEMAXIJRTGCKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-18-16(21)12-6-4-7-13(9-12)19-15(20)10-11-5-2-3-8-14(11)17(22)23/h2-9H,10H2,1H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid?
2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid has a molecular weight of 312.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 56763571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).