2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide

C14H17BrFNO — CID 61217018

IUPAC2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2cc(F)ccc2Br)CCCCC1
InChIInChI=1S/C14H17BrFNO/c1-14(7-3-2-4-8-14)17-13(18)11-9-10(16)5-6-12(11)15/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyUEOSKOSBSXVCKW-UHFFFAOYSA-N
MW314.20 g/mol
LogP4.04
Rot. Bonds2

About 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide

2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide (PubChem CID 61217018) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
PubChem CID61217018
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2cc(F)ccc2Br)CCCCC1
InChIInChI=1S/C14H17BrFNO/c1-14(7-3-2-4-8-14)17-13(18)11-9-10(16)5-6-12(11)15/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyUEOSKOSBSXVCKW-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
CID 80972166
2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
CID 80987670
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
CID 113322134
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264
1-[[(2-bromo-5-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435855
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methylcyclopentyl)benzamide
CID 64688471
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
(2-bromo-5-fluorophenyl)-(2-methylthiolan-2-yl)methanone
CID 81451772
1-[(2-bromo-5-fluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291061

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide (CID 61217018) is 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide is CC1(NC(=O)c2cc(F)ccc2Br)CCCCC1.
What is the InChIKey of 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide?
The InChIKey is UEOSKOSBSXVCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-14(7-3-2-4-8-14)17-13(18)11-9-10(16)5-6-12(11)15/h5-6,9H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide?
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide has a molecular weight of 314.20 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide is sourced from PubChem (CID 61217018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).