3-bromo-N-cyclohexyl-N-methylbenzamide

C14H18BrNO — CID 19166286

IUPAC3-bromo-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H18BrNO/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3
InChIKeyVYADRSRRNXQMEJ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.85
Rot. Bonds2

About 3-bromo-N-cyclohexyl-N-methylbenzamide

3-bromo-N-cyclohexyl-N-methylbenzamide (PubChem CID 19166286) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-N-methylbenzamide
PubChem CID19166286
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-bromo-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H18BrNO/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3
InChIKeyVYADRSRRNXQMEJ-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
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N-cyclopentyl-3-hydroxy-N-methylbenzamide
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3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
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6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
CID 115749091
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
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N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
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3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 3-bromo-N-cyclohexyl-N-methylbenzamide (CID 19166286) is 3-bromo-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of 3-bromo-N-cyclohexyl-N-methylbenzamide?
The InChIKey is VYADRSRRNXQMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3.
What are the key properties of 3-bromo-N-cyclohexyl-N-methylbenzamide?
3-bromo-N-cyclohexyl-N-methylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 19166286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).