N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide

C13H15Cl2NO — CID 887831

IUPACN-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H15Cl2NO/c14-11-6-5-9(7-12(11)15)8-16-13(17)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyYDVSRTAWKIETTF-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.80
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide

N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide (PubChem CID 887831) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide
PubChem CID887831
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H15Cl2NO/c14-11-6-5-9(7-12(11)15)8-16-13(17)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyYDVSRTAWKIETTF-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide 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 N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide (CID 887831) is N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide?
The InChIKey is YDVSRTAWKIETTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-11-6-5-9(7-12(11)15)8-16-13(17)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide?
N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide has a molecular weight of 272.17 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 887831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).