1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one

C14H18ClNO — CID 44543272

IUPAC1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one
SMILESCC(NC1CCCC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyRPHSTODYKZLNFU-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.44
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one

1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one (PubChem CID 44543272) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one
PubChem CID44543272
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one
SMILESCC(NC1CCCC1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyRPHSTODYKZLNFU-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one 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 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one (CID 44543272) is 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one is CC(NC1CCCC1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one?
The InChIKey is RPHSTODYKZLNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one?
1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one has a molecular weight of 251.76 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-one is sourced from PubChem (CID 44543272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).