N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide

C22H16ClFN4O — CID 16652321

IUPACN-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)ccc1Cl
InChIInChI=1S/C22H16ClFN4O/c1-14-12-18(8-11-20(14)23)26-22(29)16-4-9-19(10-5-16)28-21(13-25-27-28)15-2-6-17(24)7-3-15/h2-13H,1H3,(H,26,29)
InChIKeyGEYUBSNUPBWHRL-UHFFFAOYSA-N
MW406.85 g/mol
LogP5.29
Rot. Bonds4

About N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide

N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide (PubChem CID 16652321) has the molecular formula C22H16ClFN4O and a molecular weight of 406.85 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
PubChem CID16652321
Molecular FormulaC22H16ClFN4O
Molecular Weight406.85 g/mol
Exact Mass406.10
IUPAC NameN-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)ccc1Cl
InChIInChI=1S/C22H16ClFN4O/c1-14-12-18(8-11-20(14)23)26-22(29)16-4-9-19(10-5-16)28-21(13-25-27-28)15-2-6-17(24)7-3-15/h2-13H,1H3,(H,26,29)
InChIKeyGEYUBSNUPBWHRL-UHFFFAOYSA-N
XLogP5.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.85
LogP ≤ 55.29
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-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4172115
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
CID 16652390
propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
CID 16652359
N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652236
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
N-[(2-chlorophenyl)methyl]-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652348
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652343
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652280

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide (CID 16652321) is N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide is Cc1cc(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
The InChIKey is GEYUBSNUPBWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O/c1-14-12-18(8-11-20(14)23)26-22(29)16-4-9-19(10-5-16)28-21(13-25-27-28)15-2-6-17(24)7-3-15/h2-13H,1H3,(H,26,29).
What are the key properties of N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide?
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide has a molecular weight of 406.85 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide is sourced from PubChem (CID 16652321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).