2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C12H13ClN4O2 — CID 106501729

IUPAC2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(O)ccc1Cl)c1nncn1C
InChIInChI=1S/C12H13ClN4O2/c1-7(11-16-14-6-17(11)2)15-12(19)9-5-8(18)3-4-10(9)13/h3-7,18H,1-2H3,(H,15,19)
InChIKeyFLGSAFJVYVVHBP-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.67
Rot. Bonds3

About 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 106501729) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID106501729
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(O)ccc1Cl)c1nncn1C
InChIInChI=1S/C12H13ClN4O2/c1-7(11-16-14-6-17(11)2)15-12(19)9-5-8(18)3-4-10(9)13/h3-7,18H,1-2H3,(H,15,19)
InChIKeyFLGSAFJVYVVHBP-UHFFFAOYSA-N
XLogP1.67
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117116
5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-nitrobenzamide
CID 102741727
2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114922476
3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 90648293
5-bromo-2-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 103874904
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197
2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 55083285
2,3-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62659999
5-amino-2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62119905
2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 106501729) is 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is CC(NC(=O)c1cc(O)ccc1Cl)c1nncn1C.
What is the InChIKey of 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is FLGSAFJVYVVHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7(11-16-14-6-17(11)2)15-12(19)9-5-8(18)3-4-10(9)13/h3-7,18H,1-2H3,(H,15,19).
What are the key properties of 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 280.72 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106501729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).