4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide

C15H19BrClNO2 — CID 106131969

IUPAC4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC1CCCC(Cl)C1
InChIInChI=1S/C15H19BrClNO2/c1-20-14-8-11(16)5-6-13(14)15(19)18-9-10-3-2-4-12(17)7-10/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyABLKOXDKNNPUNT-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.99
Rot. Bonds4

About 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide

4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide (PubChem CID 106131969) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
PubChem CID106131969
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC Name4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC1CCCC(Cl)C1
InChIInChI=1S/C15H19BrClNO2/c1-20-14-8-11(16)5-6-13(14)15(19)18-9-10-3-2-4-12(17)7-10/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyABLKOXDKNNPUNT-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106132134
N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 106132057
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289
4-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methoxybenzamide
CID 78987536
2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide
CID 3134403
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106131826
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
5-[[(4-bromo-2-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 115368693

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide (CID 106131969) is 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NCC1CCCC(Cl)C1.
What is the InChIKey of 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide?
The InChIKey is ABLKOXDKNNPUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c1-20-14-8-11(16)5-6-13(14)15(19)18-9-10-3-2-4-12(17)7-10/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide?
4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide has a molecular weight of 360.68 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 106131969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).