4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid

C17H15NO4 — CID 817188

IUPAC4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H15NO4/c19-15(12-4-2-1-3-5-12)10-11-16(20)18-14-8-6-13(7-9-14)17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22)
InChIKeyQDZIGIDRPFIIAJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.99
Rot. Bonds6

About 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid

4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid (PubChem CID 817188) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid
PubChem CID817188
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H15NO4/c19-15(12-4-2-1-3-5-12)10-11-16(20)18-14-8-6-13(7-9-14)17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22)
InChIKeyQDZIGIDRPFIIAJ-UHFFFAOYSA-N
XLogP2.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

p-Acetamidobenzoic acid
CID 19266
Ro 40-6055
CID 2126
Phthalanilic acid
CID 78458
2-(Benzoylamino)benzoic acid
CID 68482
4-(Hexadecylamino)benzoic acid
CID 47263
Amsilarotene
CID 9800306
Deanol Acetamidobenzoate
CID 19265
3'-Methylphthalanilic acid
CID 6821
Ethyl 4-(benzoylamino)benzoate
CID 12914
Bms753
CID 9884820
3-Acetamidobenzoic acid
CID 48847
4-(Methylamino)benzoic acid
CID 66345

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid?
The IUPAC name of 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid (CID 817188) is 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid?
The canonical SMILES for 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid is O=C(CCC(=O)c1ccccc1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid?
The InChIKey is QDZIGIDRPFIIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-15(12-4-2-1-3-5-12)10-11-16(20)18-14-8-6-13(7-9-14)17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22).
What are the key properties of 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid?
4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid has a molecular weight of 297.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid is sourced from PubChem (CID 817188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).