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

C14H15BrClNO3 — CID 103925625

IUPAC2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H15BrClNO3/c15-11-6-5-8(16)7-10(11)13(18)17-12-4-2-1-3-9(12)14(19)20/h5-7,9,12H,1-4H2,(H,17,18)(H,19,20)
InChIKeyKKOGZRJWLOORJG-UHFFFAOYSA-N
MW360.64 g/mol
LogP3.48
Rot. Bonds3

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

2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 103925625) has the molecular formula C14H15BrClNO3 and a molecular weight of 360.64 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID103925625
Molecular FormulaC14H15BrClNO3
Molecular Weight360.64 g/mol
Exact Mass358.99
IUPAC Name2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H15BrClNO3/c15-11-6-5-8(16)7-10(11)13(18)17-12-4-2-1-3-9(12)14(19)20/h5-7,9,12H,1-4H2,(H,17,18)(H,19,20)
InChIKeyKKOGZRJWLOORJG-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

2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81279700
2-bromo-4-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 107992475
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978437
2-[(3-bromo-5-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107938194
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 103925625) is 2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KKOGZRJWLOORJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3/c15-11-6-5-8(16)7-10(11)13(18)17-12-4-2-1-3-9(12)14(19)20/h5-7,9,12H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(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 2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103925625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).