2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid

C22H16ClNO3 — CID 174534912

IUPAC2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid
SMILESO=C(Nc1cc(C=Cc2ccccc2)ccc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNO3/c23-18-11-9-17(10-12-18)21(25)24-20-14-16(8-13-19(20)22(26)27)7-6-15-4-2-1-3-5-15/h1-14H,(H,24,25)(H,26,27)
InChIKeyRHPKSFMRWWNBDO-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.46
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid

2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid (PubChem CID 174534912) has the molecular formula C22H16ClNO3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid
PubChem CID174534912
Molecular FormulaC22H16ClNO3
Molecular Weight377.83 g/mol
Exact Mass377.08
IUPAC Name2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid
SMILESO=C(Nc1cc(C=Cc2ccccc2)ccc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNO3/c23-18-11-9-17(10-12-18)21(25)24-20-14-16(8-13-19(20)22(26)27)7-6-15-4-2-1-3-5-15/h1-14H,(H,24,25)(H,26,27)
InChIKeyRHPKSFMRWWNBDO-UHFFFAOYSA-N
XLogP5.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid
CID 69093707
4-(2-phenylethenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175255475
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-phenylbenzoic acid
CID 67342565
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971
4-chloro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
CID 45341431
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175252681
2-[[4-(N-acetyl-4-carboxyanilino)benzoyl]amino]-5-(2-phenylethenyl)benzoic acid
CID 70119233
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
4-chloro-2-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
CID 164612116
4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid (CID 174534912) is 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid is O=C(Nc1cc(C=Cc2ccccc2)ccc1C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid?
The InChIKey is RHPKSFMRWWNBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO3/c23-18-11-9-17(10-12-18)21(25)24-20-14-16(8-13-19(20)22(26)27)7-6-15-4-2-1-3-5-15/h1-14H,(H,24,25)(H,26,27).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid?
2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid has a molecular weight of 377.83 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid is sourced from PubChem (CID 174534912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).