3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid

C23H20N2O4 — CID 23593002

IUPAC3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c26-21(27)15-12-16-10-13-18(14-11-16)24-23(29)19-8-4-5-9-20(19)25-22(28)17-6-2-1-3-7-17/h1-11,13-14H,12,15H2,(H,24,29)(H,25,28)(H,26,27)
InChIKeyFCKSARMZNXPPIL-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.21
Rot. Bonds7

About 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid

3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid (PubChem CID 23593002) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
PubChem CID23593002
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c26-21(27)15-12-16-10-13-18(14-11-16)24-23(29)19-8-4-5-9-20(19)25-22(28)17-6-2-1-3-7-17/h1-11,13-14H,12,15H2,(H,24,29)(H,25,28)(H,26,27)
InChIKeyFCKSARMZNXPPIL-UHFFFAOYSA-N
XLogP4.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
2-benzamido-N-pyridin-4-ylbenzamide
CID 730926
N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide
CID 71552206
2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 55960852
3-(3-benzamido-4-hydroxyphenyl)propanoic acid
CID 58017754
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
2-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzamide
CID 54784881
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3293283
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
N-(4-ethylphenyl)benzamide
CID 774063

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid (CID 23593002) is 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1.
What is the InChIKey of 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid?
The InChIKey is FCKSARMZNXPPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-21(27)15-12-16-10-13-18(14-11-16)24-23(29)19-8-4-5-9-20(19)25-22(28)17-6-2-1-3-7-17/h1-11,13-14H,12,15H2,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid?
3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid has a molecular weight of 388.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 23593002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).