2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide

C14H17BrClNO2 — CID 114296895

IUPAC2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC2CCC(Cl)CC2)c1
InChIInChI=1S/C14H17BrClNO2/c1-19-11-6-7-13(15)12(8-11)14(18)17-10-4-2-9(16)3-5-10/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyBPZNGSXQHQYLMX-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.74
Rot. Bonds3

About 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide

2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide (PubChem CID 114296895) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
PubChem CID114296895
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC2CCC(Cl)CC2)c1
InChIInChI=1S/C14H17BrClNO2/c1-19-11-6-7-13(15)12(8-11)14(18)17-10-4-2-9(16)3-5-10/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyBPZNGSXQHQYLMX-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.74
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

4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808715
2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide
CID 43652918
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-5-methoxybenzamide
CID 22641648
2-bromo-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methoxybenzamide
CID 23027493
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 46795122

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide (CID 114296895) is 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NC2CCC(Cl)CC2)c1.
What is the InChIKey of 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide?
The InChIKey is BPZNGSXQHQYLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-19-11-6-7-13(15)12(8-11)14(18)17-10-4-2-9(16)3-5-10/h6-10H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide?
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide has a molecular weight of 346.65 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide is sourced from PubChem (CID 114296895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).