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

C22H17ClN4O — CID 16652238

IUPACN-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
SMILESCc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H17ClN4O/c1-15-2-4-16(5-3-15)21-14-24-26-27(21)20-12-6-17(7-13-20)22(28)25-19-10-8-18(23)9-11-19/h2-14H,1H3,(H,25,28)
InChIKeyMAZIKYYRHIGTSC-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.15
Rot. Bonds4

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

N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide (PubChem CID 16652238) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
PubChem CID16652238
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC NameN-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
SMILESCc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H17ClN4O/c1-15-2-4-16(5-3-15)21-14-24-26-27(21)20-12-6-17(7-13-20)22(28)25-19-10-8-18(23)9-11-19/h2-14H,1H3,(H,25,28)
InChIKeyMAZIKYYRHIGTSC-UHFFFAOYSA-N
XLogP5.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652313
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652236
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
CID 16652390
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide
CID 16652383
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
4-[5-(4-chlorophenyl)triazol-1-yl]-N-prop-2-enylbenzamide
CID 16652430
4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4172115
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4607440
N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652280
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide
CID 16652416

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide (CID 16652238) is N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide is Cc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
The InChIKey is MAZIKYYRHIGTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c1-15-2-4-16(5-3-15)21-14-24-26-27(21)20-12-6-17(7-13-20)22(28)25-19-10-8-18(23)9-11-19/h2-14H,1H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide has a molecular weight of 388.86 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide is sourced from PubChem (CID 16652238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).