N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide

C24H20N4O2 — CID 155538556

IUPACN-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide
SMILESO=C(NC(Cn1cncn1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H20N4O2/c29-23(20-9-5-2-6-10-20)22(15-28-17-25-16-26-28)27-24(30)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-14,16-17,22H,15H2,(H,27,30)
InChIKeyJGRFWFSPQYCKGA-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.63
Rot. Bonds7

About N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide

N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide (PubChem CID 155538556) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide
PubChem CID155538556
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide
SMILESO=C(NC(Cn1cncn1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H20N4O2/c29-23(20-9-5-2-6-10-20)22(15-28-17-25-16-26-28)27-24(30)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-14,16-17,22H,15H2,(H,27,30)
InChIKeyJGRFWFSPQYCKGA-UHFFFAOYSA-N
XLogP3.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide (CID 155538556) is N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide is O=C(NC(Cn1cncn1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide?
The InChIKey is JGRFWFSPQYCKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23(20-9-5-2-6-10-20)22(15-28-17-25-16-26-28)27-24(30)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-14,16-17,22H,15H2,(H,27,30).
What are the key properties of N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide?
N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide has a molecular weight of 396.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 155538556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).