N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C19H18ClN5O2 — CID 46403138

IUPACN-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)Cc2ccccc2Cl)cc1)n1cncn1
InChIInChI=1S/C19H18ClN5O2/c1-13(25-12-21-11-22-25)19(27)24-16-8-6-15(7-9-16)23-18(26)10-14-4-2-3-5-17(14)20/h2-9,11-13H,10H2,1H3,(H,23,26)(H,24,27)
InChIKeyPGZBYYYXELEHNE-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.31
Rot. Bonds6

About N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 46403138) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID46403138
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC NameN-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)Cc2ccccc2Cl)cc1)n1cncn1
InChIInChI=1S/C19H18ClN5O2/c1-13(25-12-21-11-22-25)19(27)24-16-8-6-15(7-9-16)23-18(26)10-14-4-2-3-5-17(14)20/h2-9,11-13H,10H2,1H3,(H,23,26)(H,24,27)
InChIKeyPGZBYYYXELEHNE-UHFFFAOYSA-N
XLogP3.31
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-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-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 46403138) is N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(NC(=O)Cc2ccccc2Cl)cc1)n1cncn1.
What is the InChIKey of N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is PGZBYYYXELEHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-13(25-12-21-11-22-25)19(27)24-16-8-6-15(7-9-16)23-18(26)10-14-4-2-3-5-17(14)20/h2-9,11-13H,10H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 383.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 46403138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).