4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide

C20H16N4O — CID 16648879

IUPAC4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H16N4O/c1-14-13-21-23-24(14)17-11-9-16(10-12-17)20(25)22-19-8-4-6-15-5-2-3-7-18(15)19/h2-13H,1H3,(H,22,25)
InChIKeyPURXPVVEORTBPB-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.98
Rot. Bonds3

About 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide

4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide (PubChem CID 16648879) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide
PubChem CID16648879
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H16N4O/c1-14-13-21-23-24(14)17-11-9-16(10-12-17)20(25)22-19-8-4-6-15-5-2-3-7-18(15)19/h2-13H,1H3,(H,22,25)
InChIKeyPURXPVVEORTBPB-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide
CID 16648820
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600
4-(5-acetyl-2-pyridinyl)-N-naphthalen-1-ylbenzamide
CID 170421596
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-naphthalen-1-yl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460042
4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 1215843
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
CID 41148682
4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 55495546
4-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-naphthalen-1-ylbenzamide
CID 53276628
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide (CID 16648879) is 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide is Cc1cnnn1-c1ccc(C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide?
The InChIKey is PURXPVVEORTBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-14-13-21-23-24(14)17-11-9-16(10-12-17)20(25)22-19-8-4-6-15-5-2-3-7-18(15)19/h2-13H,1H3,(H,22,25).
What are the key properties of 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide?
4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide has a molecular weight of 328.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 16648879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).