5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid

C15H19ClN2O3 — CID 61189598

IUPAC5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(C(=O)Nc1ccc(Cl)cc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H19ClN2O3/c1-18(11-5-3-2-4-6-11)15(21)17-13-8-7-10(16)9-12(13)14(19)20/h7-9,11H,2-6H2,1H3,(H,17,21)(H,19,20)
InChIKeyKXWGKDCQIAHQJH-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.83
Rot. Bonds3

About 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid

5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 61189598) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID61189598
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(C(=O)Nc1ccc(Cl)cc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H19ClN2O3/c1-18(11-5-3-2-4-6-11)15(21)17-13-8-7-10(16)9-12(13)14(19)20/h7-9,11H,2-6H2,1H3,(H,17,21)(H,19,20)
InChIKeyKXWGKDCQIAHQJH-UHFFFAOYSA-N
XLogP3.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
4-bromo-2-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 61193976
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61194151
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61189699
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
1,1-dicyclohexyl-3-(2,4-dichlorophenyl)urea
CID 5047635
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
CID 113222858

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid (CID 61189598) is 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid is CN(C(=O)Nc1ccc(Cl)cc1C(=O)O)C1CCCCC1.
What is the InChIKey of 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is KXWGKDCQIAHQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-18(11-5-3-2-4-6-11)15(21)17-13-8-7-10(16)9-12(13)14(19)20/h7-9,11H,2-6H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid?
5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 310.78 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61189598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).