3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide

C13H15F2NO2 — CID 103279934

IUPAC3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NO2/c14-11-4-2-9(6-12(11)15)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7H2,(H,16,18)
InChIKeyVOXDSHGLMGPSQZ-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.86
Rot. Bonds3

About 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide

3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide (PubChem CID 103279934) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
PubChem CID103279934
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NO2/c14-11-4-2-9(6-12(11)15)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7H2,(H,16,18)
InChIKeyVOXDSHGLMGPSQZ-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
4,5-difluoro-2-[(3-hydroxycyclopentyl)methylcarbamoyl]benzoic acid
CID 106120281
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide
CID 136583342
2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118792
3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118737
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
4-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279882

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide (CID 103279934) is 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide is O=C(NCC1CCC(O)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is VOXDSHGLMGPSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-11-4-2-9(6-12(11)15)13(18)16-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7H2,(H,16,18).
What are the key properties of 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide?
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 255.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 103279934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).