4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H15BrClNO3 — CID 103887689

IUPAC4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H15BrClNO3/c15-12-6-3-9(16)7-11(12)13(18)17-10-4-1-8(2-5-10)14(19)20/h3,6-8,10H,1-2,4-5H2,(H,17,18)(H,19,20)
InChIKeyISOHJQHYSLFANW-UHFFFAOYSA-N
MW360.64 g/mol
LogP3.48
Rot. Bonds3

About 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 103887689) has the molecular formula C14H15BrClNO3 and a molecular weight of 360.64 g/mol. Its IUPAC name is 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID103887689
Molecular FormulaC14H15BrClNO3
Molecular Weight360.64 g/mol
Exact Mass358.99
IUPAC Name4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H15BrClNO3/c15-12-6-3-9(16)7-11(12)13(18)17-10-4-1-8(2-5-10)14(19)20/h3,6-8,10H,1-2,4-5H2,(H,17,18)(H,19,20)
InChIKeyISOHJQHYSLFANW-UHFFFAOYSA-N
XLogP3.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808715
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 162635361
4-[(5-bromo-2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808546
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 103887689) is 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Br.
What is the InChIKey of 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ISOHJQHYSLFANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3/c15-12-6-3-9(16)7-11(12)13(18)17-10-4-1-8(2-5-10)14(19)20/h3,6-8,10H,1-2,4-5H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 360.64 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103887689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).