N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide

C21H15ClN4O — CID 134912462

IUPACN-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H15ClN4O/c22-16-11-13-17(14-12-16)23-21(27)20-19(15-7-3-1-4-8-15)24-26(25-20)18-9-5-2-6-10-18/h1-14H,(H,23,27)
InChIKeyRLFSGKCKAXWNKS-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.84
Rot. Bonds4

About N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide

N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide (PubChem CID 134912462) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide
PubChem CID134912462
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC NameN-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H15ClN4O/c22-16-11-13-17(14-12-16)23-21(27)20-19(15-7-3-1-4-8-15)24-26(25-20)18-9-5-2-6-10-18/h1-14H,(H,23,27)
InChIKeyRLFSGKCKAXWNKS-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-diphenyltriazol-4-yl)-phenylmethanone
CID 13297593
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide
CID 51059742
4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 1492949
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide (CID 134912462) is N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide?
The InChIKey is RLFSGKCKAXWNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-16-11-13-17(14-12-16)23-21(27)20-19(15-7-3-1-4-8-15)24-26(25-20)18-9-5-2-6-10-18/h1-14H,(H,23,27).
What are the key properties of N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide?
N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide 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-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide is sourced from PubChem (CID 134912462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).