5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid

C17H16ClNO3 — CID 45433715

IUPAC5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1
InChIInChI=1S/C17H16ClNO3/c1-10(2)11-3-5-12(6-4-11)16(20)19-15-8-7-13(18)9-14(15)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyPQZZQDKOMKRSJZ-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.41
Rot. Bonds4

About 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid

5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid (PubChem CID 45433715) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
PubChem CID45433715
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1
InChIInChI=1S/C17H16ClNO3/c1-10(2)11-3-5-12(6-4-11)16(20)19-15-8-7-13(18)9-14(15)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyPQZZQDKOMKRSJZ-UHFFFAOYSA-N
XLogP4.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
5-iodo-2-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid
CID 5172275
5-chloro-2-[[4-(1-methylcyclohexyl)benzoyl]amino]benzoic acid
CID 46935602
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane
CID 158743170
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
5-chloro-2-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid
CID 2221534
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62238383

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid (CID 45433715) is 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid is CC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1.
What is the InChIKey of 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid?
The InChIKey is PQZZQDKOMKRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-10(2)11-3-5-12(6-4-11)16(20)19-15-8-7-13(18)9-14(15)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid?
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid has a molecular weight of 317.77 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 45433715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).