2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

C14H17F2NO2 — CID 113293749

IUPAC2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCC1)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NO2/c15-11-5-3-4-10(12(11)16)13(19)17-8-14(9-18)6-1-2-7-14/h3-5,18H,1-2,6-9H2,(H,17,19)
InChIKeyKOYNRYXSKAYLFT-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.25
Rot. Bonds4

About 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (PubChem CID 113293749) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
PubChem CID113293749
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCC1)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NO2/c15-11-5-3-4-10(12(11)16)13(19)17-8-14(9-18)6-1-2-7-14/h3-5,18H,1-2,6-9H2,(H,17,19)
InChIKeyKOYNRYXSKAYLFT-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
CID 105416225
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
CID 115364185
3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115362736
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3,4-trifluorobenzamide
CID 103969519
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436
2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163884
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (CID 113293749) is 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is O=C(NCC1(CO)CCCC1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The InChIKey is KOYNRYXSKAYLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-11-5-3-4-10(12(11)16)13(19)17-8-14(9-18)6-1-2-7-14/h3-5,18H,1-2,6-9H2,(H,17,19).
What are the key properties of 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide has a molecular weight of 269.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 113293749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).