5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid

C20H20ClNO3 — CID 46935597

IUPAC5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(C2CCCCC2)c1
InChIInChI=1S/C20H20ClNO3/c21-16-9-10-18(17(12-16)20(24)25)22-19(23)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H,22,23)(H,24,25)
InChIKeyLDUXERGDTJHKBZ-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.34
Rot. Bonds4

About 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid

5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid (PubChem CID 46935597) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid
PubChem CID46935597
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(C2CCCCC2)c1
InChIInChI=1S/C20H20ClNO3/c21-16-9-10-18(17(12-16)20(24)25)22-19(23)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H,22,23)(H,24,25)
InChIKeyLDUXERGDTJHKBZ-UHFFFAOYSA-N
XLogP5.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid (CID 46935597) is 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(C2CCCCC2)c1.
What is the InChIKey of 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid?
The InChIKey is LDUXERGDTJHKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-16-9-10-18(17(12-16)20(24)25)22-19(23)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H,22,23)(H,24,25).
What are the key properties of 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid?
5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid has a molecular weight of 357.84 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-cyclohexylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 46935597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).