5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide

C20H23ClN2O — CID 52918685

IUPAC5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide
SMILESNC(=O)CCCCN[C@@H]1C[C@H]1c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O/c21-17-10-8-15(9-11-17)14-4-6-16(7-5-14)18-13-19(18)23-12-2-1-3-20(22)24/h4-11,18-19,23H,1-3,12-13H2,(H2,22,24)/t18-,19+/m0/s1
InChIKeyDGMNKZRIAYDYPG-RBUKOAKNSA-N
MW342.87 g/mol
LogP4.11
Rot. Bonds8

About 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide

5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide (PubChem CID 52918685) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide
PubChem CID52918685
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide
SMILESNC(=O)CCCCN[C@@H]1C[C@H]1c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O/c21-17-10-8-15(9-11-17)14-4-6-16(7-5-14)18-13-19(18)23-12-2-1-3-20(22)24/h4-11,18-19,23H,1-3,12-13H2,(H2,22,24)/t18-,19+/m0/s1
InChIKeyDGMNKZRIAYDYPG-RBUKOAKNSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide 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 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide?
The IUPAC name of 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide (CID 52918685) is 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide.
What is the SMILES notation for 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide?
The canonical SMILES for 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide is NC(=O)CCCCN[C@@H]1C[C@H]1c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide?
The InChIKey is DGMNKZRIAYDYPG-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-17-10-8-15(9-11-17)14-4-6-16(7-5-14)18-13-19(18)23-12-2-1-3-20(22)24/h4-11,18-19,23H,1-3,12-13H2,(H2,22,24)/t18-,19+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide?
5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide has a molecular weight of 342.87 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]amino]pentanamide is sourced from PubChem (CID 52918685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).