N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide

C16H22BrNO3 — CID 102638374

IUPACN-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCCC2Br)c(OC)c1
InChIInChI=1S/C16H22BrNO3/c1-18(14-7-5-4-6-13(14)17)16(19)12-9-8-11(20-2)10-15(12)21-3/h8-10,13-14H,4-7H2,1-3H3
InChIKeyNARPLBZHWLOJFJ-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.48
Rot. Bonds4

About N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide

N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide (PubChem CID 102638374) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
PubChem CID102638374
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC NameN-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCCC2Br)c(OC)c1
InChIInChI=1S/C16H22BrNO3/c1-18(14-7-5-4-6-13(14)17)16(19)12-9-8-11(20-2)10-15(12)21-3/h8-10,13-14H,4-7H2,1-3H3
InChIKeyNARPLBZHWLOJFJ-UHFFFAOYSA-N
XLogP3.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638864
2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
CID 166182143
4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide
CID 102638460
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2,4-dimethoxy-N-methylbenzamide
CID 134705360
N-(1,1-dioxothiolan-3-yl)-2,4-dimethoxy-N-methylbenzamide
CID 18107337
N-(2-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885408
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2,4-dimethoxy-N-methylbenzamide
CID 134712409
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
2,4-dimethoxy-N,N-di(propan-2-yl)benzamide
CID 801007
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
CID 159051946
CID 159051946

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide (CID 102638374) is N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C2CCCCC2Br)c(OC)c1.
What is the InChIKey of N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide?
The InChIKey is NARPLBZHWLOJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-18(14-7-5-4-6-13(14)17)16(19)12-9-8-11(20-2)10-15(12)21-3/h8-10,13-14H,4-7H2,1-3H3.
What are the key properties of N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide?
N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide has a molecular weight of 356.26 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 102638374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).