2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide

C16H23BrN2O — CID 107573480

IUPAC2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
SMILESCc1cc(NCC(=O)NC2CCCCC2)cc(C)c1Br
InChIInChI=1S/C16H23BrN2O/c1-11-8-14(9-12(2)16(11)17)18-10-15(20)19-13-6-4-3-5-7-13/h8-9,13,18H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyZRSPRYPZMYMTEO-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide

2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide (PubChem CID 107573480) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
PubChem CID107573480
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
SMILESCc1cc(NCC(=O)NC2CCCCC2)cc(C)c1Br
InChIInChI=1S/C16H23BrN2O/c1-11-8-14(9-12(2)16(11)17)18-10-15(20)19-13-6-4-3-5-7-13/h8-9,13,18H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyZRSPRYPZMYMTEO-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide
CID 104937840
N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810286
N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
N-cyclohexyl-2-(2,5-dichloro-4-methylanilino)acetamide
CID 104726780
2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098146
N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide
CID 28992040
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylanilino)ethanone
CID 107573726
N-cyclohexyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815906
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide (CID 107573480) is 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide is Cc1cc(NCC(=O)NC2CCCCC2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide?
The InChIKey is ZRSPRYPZMYMTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-8-14(9-12(2)16(11)17)18-10-15(20)19-13-6-4-3-5-7-13/h8-9,13,18H,3-7,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide?
2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide has a molecular weight of 339.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide is sourced from PubChem (CID 107573480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).