2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C16H22BrClN2O2 — CID 30645340

IUPAC2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCOc1c(Br)cc(Cl)cc1NCC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C16H22BrClN2O2/c1-10-5-3-4-6-13(10)20-15(21)9-19-14-8-11(18)7-12(17)16(14)22-2/h7-8,10,13,19H,3-6,9H2,1-2H3,(H,20,21)/t10-,13-/m1/s1
InChIKeyTVPLNGYYISIKPI-ZWNOBZJWSA-N
MW389.72 g/mol
LogP4.22
Rot. Bonds5

About 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 30645340) has the molecular formula C16H22BrClN2O2 and a molecular weight of 389.72 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID30645340
Molecular FormulaC16H22BrClN2O2
Molecular Weight389.72 g/mol
Exact Mass388.06
IUPAC Name2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCOc1c(Br)cc(Cl)cc1NCC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C16H22BrClN2O2/c1-10-5-3-4-6-13(10)20-15(21)9-19-14-8-11(18)7-12(17)16(14)22-2/h7-8,10,13,19H,3-6,9H2,1-2H3,(H,20,21)/t10-,13-/m1/s1
InChIKeyTVPLNGYYISIKPI-ZWNOBZJWSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.72
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78808028
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide
CID 60536841
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
N-(3-bromo-5-chloro-2-methoxyphenyl)cyclooctanamine
CID 43689268
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide
CID 43704356
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7917105
2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7917107

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 30645340) is 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is COc1c(Br)cc(Cl)cc1NCC(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is TVPLNGYYISIKPI-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H22BrClN2O2/c1-10-5-3-4-6-13(10)20-15(21)9-19-14-8-11(18)7-12(17)16(14)22-2/h7-8,10,13,19H,3-6,9H2,1-2H3,(H,20,21)/t10-,13-/m1/s1.
What are the key properties of 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 389.72 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 30645340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).