2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide

C13H14F3NO2 — CID 99855973

IUPAC2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
SMILESO=C(NC[C@H]1CCC[C@@H]1O)c1c(F)ccc(F)c1F
InChIInChI=1S/C13H14F3NO2/c14-8-4-5-9(15)12(16)11(8)13(19)17-6-7-2-1-3-10(7)18/h4-5,7,10,18H,1-3,6H2,(H,17,19)/t7-,10+/m1/s1
InChIKeyJBLKVPNEBYSSON-XCBNKYQSSA-N
MW273.25 g/mol
LogP1.99
Rot. Bonds3

About 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide

2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide (PubChem CID 99855973) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
PubChem CID99855973
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
SMILESO=C(NC[C@H]1CCC[C@@H]1O)c1c(F)ccc(F)c1F
InChIInChI=1S/C13H14F3NO2/c14-8-4-5-9(15)12(16)11(8)13(19)17-6-7-2-1-3-10(7)18/h4-5,7,10,18H,1-3,6H2,(H,17,19)/t7-,10+/m1/s1
InChIKeyJBLKVPNEBYSSON-XCBNKYQSSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 82818931
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
N-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79757270
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide
CID 111471118
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
CID 167757534

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide?
The IUPAC name of 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide (CID 99855973) is 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide.
What is the SMILES notation for 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide?
The canonical SMILES for 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide is O=C(NC[C@H]1CCC[C@@H]1O)c1c(F)ccc(F)c1F.
What is the InChIKey of 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide?
The InChIKey is JBLKVPNEBYSSON-XCBNKYQSSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-8-4-5-9(15)12(16)11(8)13(19)17-6-7-2-1-3-10(7)18/h4-5,7,10,18H,1-3,6H2,(H,17,19)/t7-,10+/m1/s1.
What are the key properties of 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide?
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide has a molecular weight of 273.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide is sourced from PubChem (CID 99855973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).