4-chloro-N-(3,3-dimethylcyclopentyl)benzamide

C14H18ClNO — CID 91506548

IUPAC4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO/c1-14(2)8-7-12(9-14)16-13(17)10-3-5-11(15)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,16,17)
InChIKeyULYOZVXWMJKEPC-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.65
Rot. Bonds2

About 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide

4-chloro-N-(3,3-dimethylcyclopentyl)benzamide (PubChem CID 91506548) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
PubChem CID91506548
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO/c1-14(2)8-7-12(9-14)16-13(17)10-3-5-11(15)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,16,17)
InChIKeyULYOZVXWMJKEPC-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
CID 115881748
5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
CID 113345464
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
CID 115880589
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880620
4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 5065977
2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide
CID 114550401
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712
N-(3,3-dimethylcyclopentyl)-3-methyl-4-(methylamino)benzamide
CID 114540797
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
N-(3,3-dimethylcyclopentyl)-4-methyl-3-sulfamoylbenzamide
CID 115880894
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide?
The IUPAC name of 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide (CID 91506548) is 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide?
The canonical SMILES for 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide is CC1(C)CCC(NC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide?
The InChIKey is ULYOZVXWMJKEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-14(2)8-7-12(9-14)16-13(17)10-3-5-11(15)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide?
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide has a molecular weight of 251.76 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,3-dimethylcyclopentyl)benzamide is sourced from PubChem (CID 91506548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).