1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide

C19H18ClN5O3 — CID 78887347

IUPAC1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C19H18ClN5O3/c1-11-22-17(24-25(11)14-7-5-13(20)6-8-14)19(27)23-15-10-12(18(26)21-2)4-9-16(15)28-3/h4-10H,1-3H3,(H,21,26)(H,23,27)
InChIKeyPUAJPPXYWYFCCK-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 78887347) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID78887347
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C19H18ClN5O3/c1-11-22-17(24-25(11)14-7-5-13(20)6-8-14)19(27)23-15-10-12(18(26)21-2)4-9-16(15)28-3/h4-10H,1-3H3,(H,21,26)(H,23,27)
InChIKeyPUAJPPXYWYFCCK-UHFFFAOYSA-N
XLogP2.85
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 15944333
1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
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N-(3-acetamido-2-methylphenyl)-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 86922095
1-(4-chlorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 24539442
N-(5-carbamoyl-2-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55783247
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
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CID 9191963
4-chloro-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 87045785
N-[3-(tert-butylcarbamoyl)phenyl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78890975
1-(4-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide (CID 78887347) is 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide is CNC(=O)c1ccc(OC)c(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is PUAJPPXYWYFCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-11-22-17(24-25(11)14-7-5-13(20)6-8-14)19(27)23-15-10-12(18(26)21-2)4-9-16(15)28-3/h4-10H,1-3H3,(H,21,26)(H,23,27).
What are the key properties of 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 399.84 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78887347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).