3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide

C16H10ClN5O2 — CID 75434882

IUPAC3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESN#Cc1ccccc1Oc1ccc(C(=O)Nc2ncn[nH]2)cc1Cl
InChIInChI=1S/C16H10ClN5O2/c17-12-7-10(15(23)21-16-19-9-20-22-16)5-6-14(12)24-13-4-2-1-3-11(13)8-18/h1-7,9H,(H2,19,20,21,22,23)
InChIKeyPINKWZQRDUHCLE-UHFFFAOYSA-N
MW339.74 g/mol
LogP3.37
Rot. Bonds4

About 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide

3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 75434882) has the molecular formula C16H10ClN5O2 and a molecular weight of 339.74 g/mol. Its IUPAC name is 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID75434882
Molecular FormulaC16H10ClN5O2
Molecular Weight339.74 g/mol
Exact Mass339.05
IUPAC Name3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESN#Cc1ccccc1Oc1ccc(C(=O)Nc2ncn[nH]2)cc1Cl
InChIInChI=1S/C16H10ClN5O2/c17-12-7-10(15(23)21-16-19-9-20-22-16)5-6-14(12)24-13-4-2-1-3-11(13)8-18/h1-7,9H,(H2,19,20,21,22,23)
InChIKeyPINKWZQRDUHCLE-UHFFFAOYSA-N
XLogP3.37
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 60592154
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 49380377
4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 6462000
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
3-chloro-4-(2-cyanophenoxy)-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 166211442
N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
CID 63718442
2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile
CID 158066458
3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide
CID 90655839
2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 71931815
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 75434882) is 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide is N#Cc1ccccc1Oc1ccc(C(=O)Nc2ncn[nH]2)cc1Cl.
What is the InChIKey of 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is PINKWZQRDUHCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O2/c17-12-7-10(15(23)21-16-19-9-20-22-16)5-6-14(12)24-13-4-2-1-3-11(13)8-18/h1-7,9H,(H2,19,20,21,22,23).
What are the key properties of 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 339.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 75434882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).