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

C12H13ClN4O2 — CID 47451950

IUPAC4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1nncn1C
InChIInChI=1S/C12H13ClN4O2/c1-17-7-15-16-11(17)6-14-12(18)9-4-3-8(13)5-10(9)19-2/h3-5,7H,6H2,1-2H3,(H,14,18)
InChIKeyYDIBQNNNWREUQV-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.41
Rot. Bonds4

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

4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 47451950) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID47451950
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCc1nncn1C
InChIInChI=1S/C12H13ClN4O2/c1-17-7-15-16-11(17)6-14-12(18)9-4-3-8(13)5-10(9)19-2/h3-5,7H,6H2,1-2H3,(H,14,18)
InChIKeyYDIBQNNNWREUQV-UHFFFAOYSA-N
XLogP1.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 47451950) is 4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is COc1cc(Cl)ccc1C(=O)NCc1nncn1C.
What is the InChIKey of 4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is YDIBQNNNWREUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-17-7-15-16-11(17)6-14-12(18)9-4-3-8(13)5-10(9)19-2/h3-5,7H,6H2,1-2H3,(H,14,18).
What are the key properties of 4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 280.72 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 47451950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).