N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide

C16H22BrNO2 — CID 107178935

IUPACN-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)C2CCCCC2(C)C)c1
InChIInChI=1S/C16H22BrNO2/c1-16(2)9-5-4-6-12(16)15(19)18-14-10-11(20-3)7-8-13(14)17/h7-8,10,12H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyIIGIFCDOMOLDBP-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.61
Rot. Bonds3

About N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107178935) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107178935
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)C2CCCCC2(C)C)c1
InChIInChI=1S/C16H22BrNO2/c1-16(2)9-5-4-6-12(16)15(19)18-14-10-11(20-3)7-8-13(14)17/h7-8,10,12H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyIIGIFCDOMOLDBP-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82768541
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550857
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
2-[2-[(2,2-dimethylcyclohexanecarbonyl)amino]phenyl]acetic acid
CID 107175401
4-chloro-3-[(2,2-dimethylcyclohexanecarbonyl)amino]benzoic acid
CID 107175125

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107178935) is N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide is COc1ccc(Br)c(NC(=O)C2CCCCC2(C)C)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is IIGIFCDOMOLDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-16(2)9-5-4-6-12(16)15(19)18-14-10-11(20-3)7-8-13(14)17/h7-8,10,12H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 340.26 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107178935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).