4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide

C16H13ClN4O2 — CID 6462000

IUPAC4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN4O2/c17-14-4-2-1-3-12(14)9-23-13-7-5-11(6-8-13)15(22)20-16-18-10-19-21-16/h1-8,10H,9H2,(H2,18,19,20,21,22)
InChIKeyZUXMDEDVQAKVGR-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.29
Rot. Bonds5

About 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide

4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 6462000) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID6462000
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN4O2/c17-14-4-2-1-3-12(14)9-23-13-7-5-11(6-8-13)15(22)20-16-18-10-19-21-16/h1-8,10H,9H2,(H2,18,19,20,21,22)
InChIKeyZUXMDEDVQAKVGR-UHFFFAOYSA-N
XLogP3.29
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
4-[(2-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 6462842
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 8814256
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300
4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8814346
4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8813320
N-(3-bromophenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 19916424
4-[(2-chlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8813273
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 6462000) is 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is ZUXMDEDVQAKVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-14-4-2-1-3-12(14)9-23-13-7-5-11(6-8-13)15(22)20-16-18-10-19-21-16/h1-8,10H,9H2,(H2,18,19,20,21,22).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 328.76 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 6462000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).