3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide

C16H23ClN2O — CID 109013461

IUPAC3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide
SMILESO=C(CCNCCc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C16H23ClN2O/c17-14-7-5-13(6-8-14)9-11-18-12-10-16(20)19-15-3-1-2-4-15/h5-8,15,18H,1-4,9-12H2,(H,19,20)
InChIKeyQLZDNHKJOSBASN-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.92
Rot. Bonds7

About 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide

3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide (PubChem CID 109013461) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide
PubChem CID109013461
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide
SMILESO=C(CCNCCc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C16H23ClN2O/c17-14-7-5-13(6-8-14)9-11-18-12-10-16(20)19-15-3-1-2-4-15/h5-8,15,18H,1-4,9-12H2,(H,19,20)
InChIKeyQLZDNHKJOSBASN-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide
CID 5058061
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122
4-[2-(4-chlorophenyl)ethylamino]butanoic acid
CID 61380549
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide (CID 109013461) is 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide is O=C(CCNCCc1ccc(Cl)cc1)NC1CCCC1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide?
The InChIKey is QLZDNHKJOSBASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-14-7-5-13(6-8-14)9-11-18-12-10-16(20)19-15-3-1-2-4-15/h5-8,15,18H,1-4,9-12H2,(H,19,20).
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide?
3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide has a molecular weight of 294.83 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 109013461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).