N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide

C16H12Cl2N4O — CID 26085730

IUPACN-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4O/c1-10-15(21-22(20-10)12-5-3-2-4-6-12)16(23)19-11-7-8-13(17)14(18)9-11/h2-9H,1H3,(H,19,23)
InChIKeyCXOYEGHUALBOSK-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.13
Rot. Bonds3

About N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide

N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 26085730) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID26085730
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC NameN-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4O/c1-10-15(21-22(20-10)12-5-3-2-4-6-12)16(23)19-11-7-8-13(17)14(18)9-11/h2-9H,1H3,(H,19,23)
InChIKeyCXOYEGHUALBOSK-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 46399207
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 154839957
5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
CID 9490444
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33227743
N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 46687305

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide (CID 26085730) is N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is CXOYEGHUALBOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c1-10-15(21-22(20-10)12-5-3-2-4-6-12)16(23)19-11-7-8-13(17)14(18)9-11/h2-9H,1H3,(H,19,23).
What are the key properties of N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide?
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 26085730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).