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

N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
CID 114313710
N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 113275096
N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
CID 113275396
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313972
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 114317384
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide
CID 114312339
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
CID 114312139

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).