N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide

C14H17BrClNO — CID 113274232

IUPACN-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCC(Br)CC1
InChIInChI=1S/C14H17BrClNO/c15-11-4-6-13(7-5-11)17-14(18)9-10-2-1-3-12(16)8-10/h1-3,8,11,13H,4-7,9H2,(H,17,18)
InChIKeyWVKSDNIOBCKGAN-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.70
Rot. Bonds3

About N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide

N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide (PubChem CID 113274232) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
PubChem CID113274232
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCC(Br)CC1
InChIInChI=1S/C14H17BrClNO/c15-11-4-6-13(7-5-11)17-14(18)9-10-2-1-3-12(16)8-10/h1-3,8,11,13H,4-7,9H2,(H,17,18)
InChIKeyWVKSDNIOBCKGAN-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.70
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-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)acetamide
CID 55084121
N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106128298
N-cyclopropyl-2-(3,5-dichlorophenyl)acetamide
CID 110486749
3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 47142765
2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63625205
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
N-cyclopropyl-2-phenylacetamide
CID 5175687
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide (CID 113274232) is N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)NC1CCC(Br)CC1.
What is the InChIKey of N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide?
The InChIKey is WVKSDNIOBCKGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-11-4-6-13(7-5-11)17-14(18)9-10-2-1-3-12(16)8-10/h1-3,8,11,13H,4-7,9H2,(H,17,18).
What are the key properties of N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide?
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide has a molecular weight of 330.65 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 113274232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).