2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide

C13H14ClF2NO2 — CID 103773984

IUPAC2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CO)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H14ClF2NO2/c14-9-5-11(16)10(15)4-8(9)13(19)17-12-3-1-2-7(12)6-18/h4-5,7,12,18H,1-3,6H2,(H,17,19)
InChIKeyWLWDFFJGKWKOKX-UHFFFAOYSA-N
MW289.71 g/mol
LogP2.51
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide

2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 103773984) has the molecular formula C13H14ClF2NO2 and a molecular weight of 289.71 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID103773984
Molecular FormulaC13H14ClF2NO2
Molecular Weight289.71 g/mol
Exact Mass289.07
IUPAC Name2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CO)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H14ClF2NO2/c14-9-5-11(16)10(15)4-8(9)13(19)17-12-3-1-2-7(12)6-18/h4-5,7,12,18H,1-3,6H2,(H,17,19)
InChIKeyWLWDFFJGKWKOKX-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 52.51
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

4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
CID 119603606
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
CID 114179839
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-5-sulfanylbenzamide
CID 106367904
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358647
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide (CID 103773984) is 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1CCCC1CO)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is WLWDFFJGKWKOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO2/c14-9-5-11(16)10(15)4-8(9)13(19)17-12-3-1-2-7(12)6-18/h4-5,7,12,18H,1-3,6H2,(H,17,19).
What are the key properties of 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 289.71 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 103773984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).