3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid

C23H18ClNO4 — CID 23909275

IUPAC3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H18ClNO4/c24-17-12-10-16(11-13-17)22(28)18-8-4-5-9-19(18)23(29)25-20(14-21(26)27)15-6-2-1-3-7-15/h1-13,20H,14H2,(H,25,29)(H,26,27)
InChIKeyJCEOQJDCTZKDCF-UHFFFAOYSA-N
MW407.85 g/mol
LogP4.52
Rot. Bonds7

About 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid

3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid (PubChem CID 23909275) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid
PubChem CID23909275
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H18ClNO4/c24-17-12-10-16(11-13-17)22(28)18-8-4-5-9-19(18)23(29)25-20(14-21(26)27)15-6-2-1-3-7-15/h1-13,20H,14H2,(H,25,29)(H,26,27)
InChIKeyJCEOQJDCTZKDCF-UHFFFAOYSA-N
XLogP4.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
(4-chlorophenyl) (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7900869
2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide
CID 55536405
4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide
CID 11024937
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449
3-[(2-chloro-4-fluorobenzoyl)amino]-3-phenylpropanoic acid
CID 16771773
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 2305123
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid (CID 23909275) is 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid is O=C(O)CC(NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid?
The InChIKey is JCEOQJDCTZKDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c24-17-12-10-16(11-13-17)22(28)18-8-4-5-9-19(18)23(29)25-20(14-21(26)27)15-6-2-1-3-7-15/h1-13,20H,14H2,(H,25,29)(H,26,27).
What are the key properties of 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid?
3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid has a molecular weight of 407.85 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 23909275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).