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

C15H20BrNO — CID 113275097

IUPACN-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCCC1Br
InChIInChI=1S/C15H20BrNO/c16-14-9-5-4-8-13(14)11-17-15(18)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)
InChIKeyYQWGZSZCZHMCCU-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.30
Rot. Bonds4

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

N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide (PubChem CID 113275097) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
PubChem CID113275097
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCCC1Br
InChIInChI=1S/C15H20BrNO/c16-14-9-5-4-8-13(14)11-17-15(18)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)
InChIKeyYQWGZSZCZHMCCU-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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-benzyl-2-cyclohexylacetamide
CID 880904
N-(pentan-2-yl)-2-phenylacetamide
CID 2886843
N-phenethyl-2-phenylacetamide
CID 138516
N-(3,3-diphenylpropyl)-2-phenylacetamide
CID 1293167
2-cyclohexyl-N-phenethyl-acetamide
CID 1121089
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
4-phenyl-N-(2-phenylethyl)butanamide
CID 836348
N-(3-phenylpropyl)cyclohexanecarboxamide
CID 2163843

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide (CID 113275097) is N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1CCCCC1Br.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide?
The InChIKey is YQWGZSZCZHMCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-14-9-5-4-8-13(14)11-17-15(18)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide?
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide has a molecular weight of 310.23 g/mol, XLogP of 3.30, 4 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-phenylacetamide is sourced from PubChem (CID 113275097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).