N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide

C21H15ClN4O — CID 16549214

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15ClN4O/c22-18-10-11-20(26-14-23-13-24-26)19(12-18)25-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,25,27)
InChIKeyWWNSXZQJGMJUNU-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.84
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide (PubChem CID 16549214) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
PubChem CID16549214
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15ClN4O/c22-18-10-11-20(26-14-23-13-24-26)19(12-18)25-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,25,27)
InChIKeyWWNSXZQJGMJUNU-UHFFFAOYSA-N
XLogP4.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 9204418
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,5-dinitrobenzamide
CID 55337238
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527286
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8025189
3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 31402196
(E)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56508385
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(difluoromethoxy)benzamide
CID 18084497
2-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 31527296
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 18084476
4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527323

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide (CID 16549214) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide?
The InChIKey is WWNSXZQJGMJUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-18-10-11-20(26-14-23-13-24-26)19(12-18)25-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,25,27).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide has a molecular weight of 374.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 16549214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).