2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide

C14H17F2NO2 — CID 64928717

IUPAC2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2/c15-10-5-6-11(12(16)7-10)14(19)17-8-9-3-1-2-4-13(9)18/h5-7,9,13,18H,1-4,8H2,(H,17,19)
InChIKeyHYSMMJODLNTUHL-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.25
Rot. Bonds3

About 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide

2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide (PubChem CID 64928717) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
PubChem CID64928717
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2/c15-10-5-6-11(12(16)7-10)14(19)17-8-9-3-1-2-4-13(9)18/h5-7,9,13,18H,1-4,8H2,(H,17,19)
InChIKeyHYSMMJODLNTUHL-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[(2-hydroxycyclopentyl)methyl]-2-methoxybenzamide
CID 111464236
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
3-amino-2,5-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 107121147
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677675
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
CID 58999025
1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
CID 58999035
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide (CID 64928717) is 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCCCC1O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is HYSMMJODLNTUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-10-5-6-11(12(16)7-10)14(19)17-8-9-3-1-2-4-13(9)18/h5-7,9,13,18H,1-4,8H2,(H,17,19).
What are the key properties of 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 269.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 64928717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).