3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide

C15H11ClN4O — CID 50882082

IUPAC3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O/c16-12-3-1-2-11(8-12)15(21)19-13-4-6-14(7-5-13)20-9-17-18-10-20/h1-10H,(H,19,21)
InChIKeyNMEJLAMFDQYYDS-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide

3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide (PubChem CID 50882082) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
PubChem CID50882082
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O/c16-12-3-1-2-11(8-12)15(21)19-13-4-6-14(7-5-13)20-9-17-18-10-20/h1-10H,(H,19,21)
InChIKeyNMEJLAMFDQYYDS-UHFFFAOYSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide (CID 50882082) is 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cnnc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The InChIKey is NMEJLAMFDQYYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-12-3-1-2-11(8-12)15(21)19-13-4-6-14(7-5-13)20-9-17-18-10-20/h1-10H,(H,19,21).
What are the key properties of 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide has a molecular weight of 298.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 50882082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).