N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide

C21H23ClN4O — CID 58933339

IUPACN-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide
SMILESCC(C)n1cc(CCC(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)nn1
InChIInChI=1S/C21H23ClN4O/c1-15(2)26-14-20(24-25-26)11-12-21(27)23-13-16-3-5-17(6-4-16)18-7-9-19(22)10-8-18/h3-10,14-15H,11-13H2,1-2H3,(H,23,27)
InChIKeyQGZYNSZOLJNXEN-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.43
Rot. Bonds7

About N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide

N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide (PubChem CID 58933339) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide
PubChem CID58933339
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide
SMILESCC(C)n1cc(CCC(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)nn1
InChIInChI=1S/C21H23ClN4O/c1-15(2)26-14-20(24-25-26)11-12-21(27)23-13-16-3-5-17(6-4-16)18-7-9-19(22)10-8-18/h3-10,14-15H,11-13H2,1-2H3,(H,23,27)
InChIKeyQGZYNSZOLJNXEN-UHFFFAOYSA-N
XLogP4.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide 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-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide?
The IUPAC name of N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide (CID 58933339) is N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide is CC(C)n1cc(CCC(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2)nn1.
What is the InChIKey of N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide?
The InChIKey is QGZYNSZOLJNXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-15(2)26-14-20(24-25-26)11-12-21(27)23-13-16-3-5-17(6-4-16)18-7-9-19(22)10-8-18/h3-10,14-15H,11-13H2,1-2H3,(H,23,27).
What are the key properties of N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide?
N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide has a molecular weight of 382.90 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)phenyl]methyl]-3-(1-propan-2-yltriazol-4-yl)propanamide is sourced from PubChem (CID 58933339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).