N-(4-bromocyclohexyl)-3-methylbenzamide

C14H18BrNO — CID 114309120

IUPACN-(4-bromocyclohexyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCC(Br)CC2)c1
InChIInChI=1S/C14H18BrNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-4,9,12-13H,5-8H2,1H3,(H,16,17)
InChIKeyIWJJGASRQCONOO-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.43
Rot. Bonds2

About N-(4-bromocyclohexyl)-3-methylbenzamide

N-(4-bromocyclohexyl)-3-methylbenzamide (PubChem CID 114309120) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-3-methylbenzamide
PubChem CID114309120
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(4-bromocyclohexyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCC(Br)CC2)c1
InChIInChI=1S/C14H18BrNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-4,9,12-13H,5-8H2,1H3,(H,16,17)
InChIKeyIWJJGASRQCONOO-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-3-methylbenzamide
CID 966011
3-methyl-N-piperidin-1-ium-4-ylbenzamide
CID 7412122
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-3-methylbenzamide?
The IUPAC name of N-(4-bromocyclohexyl)-3-methylbenzamide (CID 114309120) is N-(4-bromocyclohexyl)-3-methylbenzamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-3-methylbenzamide?
The canonical SMILES for N-(4-bromocyclohexyl)-3-methylbenzamide is Cc1cccc(C(=O)NC2CCC(Br)CC2)c1.
What is the InChIKey of N-(4-bromocyclohexyl)-3-methylbenzamide?
The InChIKey is IWJJGASRQCONOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-4,9,12-13H,5-8H2,1H3,(H,16,17).
What are the key properties of N-(4-bromocyclohexyl)-3-methylbenzamide?
N-(4-bromocyclohexyl)-3-methylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-3-methylbenzamide is sourced from PubChem (CID 114309120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).