N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide

C17H24BrNO — CID 114312339

IUPACN-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1CCCCC1Br)c1ccccc1
InChIInChI=1S/C17H24BrNO/c1-2-15(13-8-4-3-5-9-13)17(20)19-12-14-10-6-7-11-16(14)18/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3,(H,19,20)
InChIKeyNJICWOXDPBLDMM-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.25
Rot. Bonds5

About N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide

N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide (PubChem CID 114312339) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide
PubChem CID114312339
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1CCCCC1Br)c1ccccc1
InChIInChI=1S/C17H24BrNO/c1-2-15(13-8-4-3-5-9-13)17(20)19-12-14-10-6-7-11-16(14)18/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3,(H,19,20)
InChIKeyNJICWOXDPBLDMM-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide 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

Desmethyl diphenamid
CID 70381
N-Cyclohexyl-2-phenylacetamide
CID 82500
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
N-cyclohexyl-4-phenylbutanamide
CID 288831
N-(pentan-2-yl)-2-phenylacetamide
CID 2886843
N-phenethyl-2-phenylacetamide
CID 138516
N-(3,3-diphenylpropyl)-2-phenylacetamide
CID 1293167
N-(cyanomethyl)-4-methyl-2-(3-phenylphenyl)pentanamide
CID 9815041
N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
CID 18628679
2-cyclohexyl-N-phenethyl-acetamide
CID 1121089
MR 16728
CID 378811
4-phenyl-N-(2-phenylethyl)butanamide
CID 836348

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide (CID 114312339) is N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide is CCC(C(=O)NCC1CCCCC1Br)c1ccccc1.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide?
The InChIKey is NJICWOXDPBLDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-2-15(13-8-4-3-5-9-13)17(20)19-12-14-10-6-7-11-16(14)18/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide?
N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide has a molecular weight of 338.29 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 114312339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).