2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid

C19H17NO5 — CID 171978425

IUPAC2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid
SMILESCCC(=O)N(C(=O)c1ccccc1C(=O)O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H17NO5/c1-3-17(22)20(14-10-8-13(9-11-14)12(2)21)18(23)15-6-4-5-7-16(15)19(24)25/h4-11H,3H2,1-2H3,(H,24,25)
InChIKeyAWAXTSGYGNUMNF-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.17
Rot. Bonds5

About 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid

2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid (PubChem CID 171978425) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid
PubChem CID171978425
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid
SMILESCCC(=O)N(C(=O)c1ccccc1C(=O)O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H17NO5/c1-3-17(22)20(14-10-8-13(9-11-14)12(2)21)18(23)15-6-4-5-7-16(15)19(24)25/h4-11H,3H2,1-2H3,(H,24,25)
InChIKeyAWAXTSGYGNUMNF-UHFFFAOYSA-N
XLogP3.17
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-propanoylbenzamide
CID 13029157
2-[(4-acetylphenyl)-(3-nitrobenzoyl)carbamoyl]benzoic acid
CID 171978473
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188
N-(4-acetylphenyl)-N-carbamothioylbenzamide
CID 141254851
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
CID 161487029
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
4-(dimethylamino)benzoic acid;2-ethylbenzoic acid
CID 159516213
ethyl benzoate;phthalic acid
CID 159584831
2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559
4-[acetyl(benzoyl)amino]benzoic acid
CID 138333706
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid (CID 171978425) is 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid is CCC(=O)N(C(=O)c1ccccc1C(=O)O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid?
The InChIKey is AWAXTSGYGNUMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-3-17(22)20(14-10-8-13(9-11-14)12(2)21)18(23)15-6-4-5-7-16(15)19(24)25/h4-11H,3H2,1-2H3,(H,24,25).
What are the key properties of 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid?
2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid has a molecular weight of 339.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)-propanoylcarbamoyl]benzoic acid is sourced from PubChem (CID 171978425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).