4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide

C18H24BrNO3 — CID 87232998

IUPAC4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide
SMILESCCN(C(=O)c1ccc(C(=O)CBr)c(OC)c1)C1CCCCC1
InChIInChI=1S/C18H24BrNO3/c1-3-20(14-7-5-4-6-8-14)18(22)13-9-10-15(16(21)12-19)17(11-13)23-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyBJGWFIQEBOKBHK-UHFFFAOYSA-N
MW382.30 g/mol
LogP4.07
Rot. Bonds6

About 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide

4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide (PubChem CID 87232998) has the molecular formula C18H24BrNO3 and a molecular weight of 382.30 g/mol. Its IUPAC name is 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide
PubChem CID87232998
Molecular FormulaC18H24BrNO3
Molecular Weight382.30 g/mol
Exact Mass381.09
IUPAC Name4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide
SMILESCCN(C(=O)c1ccc(C(=O)CBr)c(OC)c1)C1CCCCC1
InChIInChI=1S/C18H24BrNO3/c1-3-20(14-7-5-4-6-8-14)18(22)13-9-10-15(16(21)12-19)17(11-13)23-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyBJGWFIQEBOKBHK-UHFFFAOYSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide
CID 52574017
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-cyclohexyl-N-ethyl-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134043401
5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
CID 134010441
N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18156104
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24632509
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide?
The IUPAC name of 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide (CID 87232998) is 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide?
The canonical SMILES for 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide is CCN(C(=O)c1ccc(C(=O)CBr)c(OC)c1)C1CCCCC1.
What is the InChIKey of 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide?
The InChIKey is BJGWFIQEBOKBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO3/c1-3-20(14-7-5-4-6-8-14)18(22)13-9-10-15(16(21)12-19)17(11-13)23-2/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide?
4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide has a molecular weight of 382.30 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 87232998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).