N'-(2-chlorophenyl)-N-cyclopentylpropanediamide

C14H17ClN2O2 — CID 108942228

IUPACN'-(2-chlorophenyl)-N-cyclopentylpropanediamide
SMILESO=C(CC(=O)NC1CCCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-11-7-3-4-8-12(11)17-14(19)9-13(18)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,18)(H,17,19)
InChIKeyRAZKOQRQPJHEDE-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.73
Rot. Bonds4

About N'-(2-chlorophenyl)-N-cyclopentylpropanediamide

N'-(2-chlorophenyl)-N-cyclopentylpropanediamide (PubChem CID 108942228) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-cyclopentylpropanediamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-cyclopentylpropanediamide
PubChem CID108942228
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN'-(2-chlorophenyl)-N-cyclopentylpropanediamide
SMILESO=C(CC(=O)NC1CCCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-11-7-3-4-8-12(11)17-14(19)9-13(18)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,18)(H,17,19)
InChIKeyRAZKOQRQPJHEDE-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 6990965
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
methyl 4-chloro-3-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942636
N-cyclohexyl-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetamide
CID 5116287
N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide
CID 108951648
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
2-chloro-N-cyclopentylbenzamide
CID 669043
N-(2-chlorophenyl)-2-cyclohexyloxyacetamide
CID 87000449
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-cyclopentylpropanediamide?
The IUPAC name of N'-(2-chlorophenyl)-N-cyclopentylpropanediamide (CID 108942228) is N'-(2-chlorophenyl)-N-cyclopentylpropanediamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-cyclopentylpropanediamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-cyclopentylpropanediamide is O=C(CC(=O)NC1CCCC1)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-cyclopentylpropanediamide?
The InChIKey is RAZKOQRQPJHEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-7-3-4-8-12(11)17-14(19)9-13(18)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2-chlorophenyl)-N-cyclopentylpropanediamide?
N'-(2-chlorophenyl)-N-cyclopentylpropanediamide has a molecular weight of 280.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-cyclopentylpropanediamide is sourced from PubChem (CID 108942228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).