N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide

C15H20BrNO — CID 86681328

IUPACN-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide
SMILESCc1c(Br)cccc1N(C)C(=O)C1CCCCC1
InChIInChI=1S/C15H20BrNO/c1-11-13(16)9-6-10-14(11)17(2)15(18)12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyKKPTUOBWFFIGFQ-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.30
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide

N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide (PubChem CID 86681328) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide
PubChem CID86681328
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide
SMILESCc1c(Br)cccc1N(C)C(=O)C1CCCCC1
InChIInChI=1S/C15H20BrNO/c1-11-13(16)9-6-10-14(11)17(2)15(18)12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyKKPTUOBWFFIGFQ-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-methylphenyl)-cyclohexylmethanone
CID 114962200
N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide
CID 84512216
N-methyl-N-(2-methylphenyl)cyclopropanecarboxamide
CID 64593225
trans-(1S,2S)-2-[(2-bromophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 46930368
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
CID 113094811
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
N-methyl-N-(5-phenylthiophen-2-yl)cyclohexanecarboxamide
CID 23341624
3-bromo-N,N,2-trimethylaniline
CID 107640986
N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 51959369
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
CID 115268285

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide (CID 86681328) is N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide is Cc1c(Br)cccc1N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide?
The InChIKey is KKPTUOBWFFIGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-13(16)9-6-10-14(11)17(2)15(18)12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8H2,1-2H3.
What are the key properties of N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide?
N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide has a molecular weight of 310.23 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 86681328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).