N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C16H13ClN4O2 — CID 15990128

IUPACN-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H13ClN4O2/c1-23-14-8-7-11(9-13(14)17)19-16(22)15-18-10-21(20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,22)
InChIKeyIZWOVHBJKZBHPF-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.18
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 15990128) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID15990128
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H13ClN4O2/c1-23-14-8-7-11(9-13(14)17)19-16(22)15-18-10-21(20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,22)
InChIKeyIZWOVHBJKZBHPF-UHFFFAOYSA-N
XLogP3.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-4-methyl-1-oxopentan-2-yl]-1,2,4-triazole-3-carboxamide
CID 10368089
1-(2,3-dichlorophenyl)-N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-4-methyl-1-oxopentan-2-yl]-1,2,4-triazole-3-carboxamide
CID 10875013
N-(5-chloro-2-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990132
US11718612, Example 30
CID 156146668
3-(3-Chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-3-YL}methyl)urea
CID 16030701
1-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-1-((6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)urea
CID 16030703
N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 977203
N-(3-chloro-4-methoxyphenyl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
CID 2214653
N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2988655
N-(4-ethoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15944271
1-(3-Chloro-4-ethoxyphenyl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 72024480
1-(3-chloro-4-methoxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75400110

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 15990128) is N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is COc1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is IZWOVHBJKZBHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-23-14-8-7-11(9-13(14)17)19-16(22)15-18-10-21(20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15990128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).