4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide

C23H19ClN4O — CID 16652416

IUPAC4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN4O/c24-20-10-6-18(7-11-20)22-16-26-27-28(22)21-12-8-19(9-13-21)23(29)25-15-14-17-4-2-1-3-5-17/h1-13,16H,14-15H2,(H,25,29)
InChIKeyZSUNJDRXNHSQRS-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.56
Rot. Bonds6

About 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide

4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide (PubChem CID 16652416) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide
PubChem CID16652416
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN4O/c24-20-10-6-18(7-11-20)22-16-26-27-28(22)21-12-8-19(9-13-21)23(29)25-15-14-17-4-2-1-3-5-17/h1-13,16H,14-15H2,(H,25,29)
InChIKeyZSUNJDRXNHSQRS-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
4-[5-(4-chlorophenyl)triazol-1-yl]-N-prop-2-enylbenzamide
CID 16652430
4-[5-(4-bromophenyl)triazol-1-yl]-N-(2-hydroxyethyl)benzamide
CID 16652463
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
N-[(2-chlorophenyl)methyl]-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652348
4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 53108683
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
CID 16652390
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 4109180
N-cyclopentyl-4-(5-phenyltriazol-1-yl)benzamide
CID 16648320

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide (CID 16652416) is 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is ZSUNJDRXNHSQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c24-20-10-6-18(7-11-20)22-16-26-27-28(22)21-12-8-19(9-13-21)23(29)25-15-14-17-4-2-1-3-5-17/h1-13,16H,14-15H2,(H,25,29).
What are the key properties of 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide?
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 402.89 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 16652416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).