3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

C15H19F2NO2 — CID 115701272

IUPAC3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2NO2/c16-12-6-11(7-13(17)8-12)14(20)18-9-15(10-19)4-2-1-3-5-15/h6-8,19H,1-5,9-10H2,(H,18,20)
InChIKeyBUUDCEHKTWCWSV-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.64
Rot. Bonds4

About 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (PubChem CID 115701272) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
PubChem CID115701272
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2NO2/c16-12-6-11(7-13(17)8-12)14(20)18-9-15(10-19)4-2-1-3-5-15/h6-8,19H,1-5,9-10H2,(H,18,20)
InChIKeyBUUDCEHKTWCWSV-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3,5-difluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435644
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 104890921
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357752
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104785541
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (CID 115701272) is 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is O=C(NCC1(CO)CCCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The InChIKey is BUUDCEHKTWCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-12-6-11(7-13(17)8-12)14(20)18-9-15(10-19)4-2-1-3-5-15/h6-8,19H,1-5,9-10H2,(H,18,20).
What are the key properties of 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide has a molecular weight of 283.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 115701272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).