4-[[2-(propanoylamino)benzoyl]amino]benzoic acid

C17H16N2O4 — CID 2232955

IUPAC4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
SMILESCCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H16N2O4/c1-2-15(20)19-14-6-4-3-5-13(14)16(21)18-12-9-7-11(8-10-12)17(22)23/h3-10H,2H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyDVILTDVEGPWCFS-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.99
Rot. Bonds5

About 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid

4-[[2-(propanoylamino)benzoyl]amino]benzoic acid (PubChem CID 2232955) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
PubChem CID2232955
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
SMILESCCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H16N2O4/c1-2-15(20)19-14-6-4-3-5-13(14)16(21)18-12-9-7-11(8-10-12)17(22)23/h3-10H,2H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyDVILTDVEGPWCFS-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid
CID 155548580
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1298155
N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
CID 2938137
4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927
2-(butanoylamino)-N-phenylbenzamide
CID 676008
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 2194345
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-[2-(2-anilino-2-oxoacetyl)phenyl]propanamide
CID 2195525
4-[[2-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 17296347
4-[[2-(3-phenylprop-2-enoylamino)benzoyl]amino]benzoic acid
CID 1230925

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid (CID 2232955) is 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid is CCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid?
The InChIKey is DVILTDVEGPWCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-15(20)19-14-6-4-3-5-13(14)16(21)18-12-9-7-11(8-10-12)17(22)23/h3-10H,2H2,1H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid?
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid has a molecular weight of 312.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(propanoylamino)benzoyl]amino]benzoic acid is sourced from PubChem (CID 2232955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).