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

C15H18BrNO4 — CID 115368666

IUPAC2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(Br)ccc1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H18BrNO4/c1-21-13-8-9(16)6-7-11(13)14(18)17-12-5-3-2-4-10(12)15(19)20/h6-8,10,12H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyPCJPPTWPAIFTKR-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.83
Rot. Bonds4

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

2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115368666) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115368666
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(Br)ccc1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H18BrNO4/c1-21-13-8-9(16)6-7-11(13)14(18)17-12-5-3-2-4-10(12)15(19)20/h6-8,10,12H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyPCJPPTWPAIFTKR-UHFFFAOYSA-N
XLogP2.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide
CID 115369291
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide
CID 113246081
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 115368666) is 2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is COc1cc(Br)ccc1C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PCJPPTWPAIFTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-21-13-8-9(16)6-7-11(13)14(18)17-12-5-3-2-4-10(12)15(19)20/h6-8,10,12H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115368666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).