N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide

C15H19Br2NO — CID 112752910

IUPACN-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NC1CCCC(CBr)C1
InChIInChI=1S/C15H19Br2NO/c16-10-12-4-2-6-14(8-12)18-15(19)9-11-3-1-5-13(17)7-11/h1,3,5,7,12,14H,2,4,6,8-10H2,(H,18,19)
InChIKeyLVLAFLASNCECKI-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.06
Rot. Bonds4

About N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide

N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide (PubChem CID 112752910) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide
PubChem CID112752910
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC NameN-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NC1CCCC(CBr)C1
InChIInChI=1S/C15H19Br2NO/c16-10-12-4-2-6-14(8-12)18-15(19)9-11-3-1-5-13(17)7-11/h1,3,5,7,12,14H,2,4,6,8-10H2,(H,18,19)
InChIKeyLVLAFLASNCECKI-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)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

2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
2-(3-bromophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 112990967
N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
CID 106366253
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 86812954
N-[3-(bromomethyl)cyclohexyl]-2,3-difluorobenzamide
CID 112752885
N-(3-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
CID 71786211
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 114317384
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689697
2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 100698638
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide
CID 112752975

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide?
The IUPAC name of N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide (CID 112752910) is N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide is O=C(Cc1cccc(Br)c1)NC1CCCC(CBr)C1.
What is the InChIKey of N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide?
The InChIKey is LVLAFLASNCECKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c16-10-12-4-2-6-14(8-12)18-15(19)9-11-3-1-5-13(17)7-11/h1,3,5,7,12,14H,2,4,6,8-10H2,(H,18,19).
What are the key properties of N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide?
N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide has a molecular weight of 389.13 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)cyclohexyl]-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 112752910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).