2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide

C16H23BrN2O — CID 37273913

IUPAC2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
SMILESCc1ccc(NCC(=O)NC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-11-3-6-13(7-4-11)19-16(20)10-18-15-8-5-12(2)9-14(15)17/h5,8-9,11,13,18H,3-4,6-7,10H2,1-2H3,(H,19,20)
InChIKeySEKKXFOOUILTKU-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.86
Rot. Bonds4

About 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide

2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide (PubChem CID 37273913) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
PubChem CID37273913
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
SMILESCc1ccc(NCC(=O)NC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-11-3-6-13(7-4-11)19-16(20)10-18-15-8-5-12(2)9-14(15)17/h5,8-9,11,13,18H,3-4,6-7,10H2,1-2H3,(H,19,20)
InChIKeySEKKXFOOUILTKU-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52526163
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
2-(2-bromo-4-carbamothioylanilino)-N-cyclopropylacetamide
CID 82804920
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 54956732
2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
CID 63099891
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
2-(2,3-dichloroanilino)-N-(4-methylcyclohexyl)acetamide
CID 47123114
5-methyl-N-(4-methylcyclohexyl)-2-(propylamino)benzamide
CID 63500938
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide
CID 104937840
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbenzoic acid
CID 63212554

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide (CID 37273913) is 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide is Cc1ccc(NCC(=O)NC2CCC(C)CC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is SEKKXFOOUILTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-3-6-13(7-4-11)19-16(20)10-18-15-8-5-12(2)9-14(15)17/h5,8-9,11,13,18H,3-4,6-7,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide?
2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 339.28 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 37273913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).