N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide

C16H21BrClNO — CID 114317365

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1CCCCC1CBr
InChIInChI=1S/C16H21BrClNO/c17-10-13-6-1-2-7-14(13)11-19-16(20)9-12-5-3-4-8-15(12)18/h3-5,8,13-14H,1-2,6-7,9-11H2,(H,19,20)
InChIKeyYHMJUDLTFWHLLQ-UHFFFAOYSA-N
MW358.71 g/mol
LogP4.20
Rot. Bonds5

About N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide (PubChem CID 114317365) has the molecular formula C16H21BrClNO and a molecular weight of 358.71 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
PubChem CID114317365
Molecular FormulaC16H21BrClNO
Molecular Weight358.71 g/mol
Exact Mass357.05
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1CCCCC1CBr
InChIInChI=1S/C16H21BrClNO/c17-10-13-6-1-2-7-14(13)11-19-16(20)9-12-5-3-4-8-15(12)18/h3-5,8,13-14H,1-2,6-7,9-11H2,(H,19,20)
InChIKeyYHMJUDLTFWHLLQ-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.71
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide 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-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
CID 113275396
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114317207
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 114317384
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 113275096
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 114317378
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276266
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide
CID 114307086
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide (CID 114317365) is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide is O=C(Cc1ccccc1Cl)NCC1CCCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is YHMJUDLTFWHLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO/c17-10-13-6-1-2-7-14(13)11-19-16(20)9-12-5-3-4-8-15(12)18/h3-5,8,13-14H,1-2,6-7,9-11H2,(H,19,20).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 358.71 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 114317365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).