2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide

C14H17BrFNO2 — CID 106361705

IUPAC2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CO)c1c(F)cccc1Br
InChIInChI=1S/C14H17BrFNO2/c15-10-5-3-6-11(16)13(10)14(19)17-12-7-2-1-4-9(12)8-18/h3,5-6,9,12,18H,1-2,4,7-8H2,(H,17,19)
InChIKeyNTIYYSLILFSZSY-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.87
Rot. Bonds3

About 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide

2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 106361705) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID106361705
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1CO)c1c(F)cccc1Br
InChIInChI=1S/C14H17BrFNO2/c15-10-5-3-6-11(16)13(10)14(19)17-12-7-2-1-4-9(12)8-18/h3,5-6,9,12,18H,1-2,4,7-8H2,(H,17,19)
InChIKeyNTIYYSLILFSZSY-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
2-bromo-N-(2-carbamothioylcyclopentyl)-6-fluorobenzamide
CID 114559262
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
1-(3-bromo-2-methylphenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636925
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
trans-(1S,2S)-2-(2,6-difluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 97010636
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
CID 110279243
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 103856998

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide (CID 106361705) is 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide is O=C(NC1CCCCC1CO)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is NTIYYSLILFSZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-10-5-3-6-11(16)13(10)14(19)17-12-7-2-1-4-9(12)8-18/h3,5-6,9,12,18H,1-2,4,7-8H2,(H,17,19).
What are the key properties of 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 330.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 106361705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).