1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide

C17H14Cl2N4O2 — CID 58446383

IUPAC1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ncn(-c3cc(Cl)c(O)c(Cl)c3)n2)c1
InChIInChI=1S/C17H14Cl2N4O2/c1-10-3-2-4-11(5-10)8-20-17(25)16-21-9-23(22-16)12-6-13(18)15(24)14(19)7-12/h2-7,9,24H,8H2,1H3,(H,20,25)
InChIKeyNFLSYWFPOKTQET-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.52
Rot. Bonds4

About 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide

1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 58446383) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID58446383
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ncn(-c3cc(Cl)c(O)c(Cl)c3)n2)c1
InChIInChI=1S/C17H14Cl2N4O2/c1-10-3-2-4-11(5-10)8-20-17(25)16-21-9-23(22-16)12-6-13(18)15(24)14(19)7-12/h2-7,9,24H,8H2,1H3,(H,20,25)
InChIKeyNFLSYWFPOKTQET-UHFFFAOYSA-N
XLogP3.52
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-ethylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 90791255
N-[(3-chlorophenyl)methyl]-1-(3,5-dichloro-4-hydroxyphenyl)-1,2,4-triazole-3-carboxamide
CID 45138305
N-benzyl-1-(4-chlorophenyl)-1,2,4-triazole-3-carboxamide
CID 15944303
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
(3-methylphenyl)methylurea
CID 60776531
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide (CID 58446383) is 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide is Cc1cccc(CNC(=O)c2ncn(-c3cc(Cl)c(O)c(Cl)c3)n2)c1.
What is the InChIKey of 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is NFLSYWFPOKTQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-10-3-2-4-11(5-10)8-20-17(25)16-21-9-23(22-16)12-6-13(18)15(24)14(19)7-12/h2-7,9,24H,8H2,1H3,(H,20,25).
What are the key properties of 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-hydroxyphenyl)-N-[(3-methylphenyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 58446383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).