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

C15H18BrNO4 — CID 60808715

IUPAC4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(Br)c(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H18BrNO4/c1-21-11-6-7-13(16)12(8-11)14(18)17-10-4-2-9(3-5-10)15(19)20/h6-10H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyZEDLFHAMTRSBIB-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.83
Rot. Bonds4

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

4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60808715) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60808715
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(Br)c(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H18BrNO4/c1-21-11-6-7-13(16)12(8-11)14(18)17-10-4-2-9(3-5-10)15(19)20/h6-10H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyZEDLFHAMTRSBIB-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-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60810345
2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide
CID 43652918
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-bromo-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methoxybenzamide
CID 23027493
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 60808715) is 4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is COc1ccc(Br)c(C(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZEDLFHAMTRSBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-21-11-6-7-13(16)12(8-11)14(18)17-10-4-2-9(3-5-10)15(19)20/h6-10H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-bromo-5-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 4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).