2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide

C14H16ClF2NO — CID 115880901

IUPAC2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
SMILESCC1(C)CCC(NC(=O)c2cc(F)c(F)cc2Cl)C1
InChIInChI=1S/C14H16ClF2NO/c1-14(2)4-3-8(7-14)18-13(19)9-5-11(16)12(17)6-10(9)15/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyMLQSBTXLHPOURO-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.93
Rot. Bonds2

About 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide

2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide (PubChem CID 115880901) has the molecular formula C14H16ClF2NO and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
PubChem CID115880901
Molecular FormulaC14H16ClF2NO
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
SMILESCC1(C)CCC(NC(=O)c2cc(F)c(F)cc2Cl)C1
InChIInChI=1S/C14H16ClF2NO/c1-14(2)4-3-8(7-14)18-13(19)9-5-11(16)12(17)6-10(9)15/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyMLQSBTXLHPOURO-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide (CID 115880901) is 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide is CC1(C)CCC(NC(=O)c2cc(F)c(F)cc2Cl)C1.
What is the InChIKey of 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide?
The InChIKey is MLQSBTXLHPOURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO/c1-14(2)4-3-8(7-14)18-13(19)9-5-11(16)12(17)6-10(9)15/h5-6,8H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide?
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide has a molecular weight of 287.74 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide is sourced from PubChem (CID 115880901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).