4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide

C11H11FN4O2 — CID 112631345

IUPAC4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C11H11FN4O2/c1-6-5-7(12)3-4-8(6)9(17)13-10-14-11(18-2)16-15-10/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeySSSKOKUSZONXEL-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.51
Rot. Bonds3

About 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide

4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide (PubChem CID 112631345) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
PubChem CID112631345
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C11H11FN4O2/c1-6-5-7(12)3-4-8(6)9(17)13-10-14-11(18-2)16-15-10/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeySSSKOKUSZONXEL-UHFFFAOYSA-N
XLogP1.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
CID 83092656
1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
CID 83101976
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 107724991
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83101088
3-chloro-6-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide
CID 83097169
3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 83093710
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 83097556
4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83093226
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417
3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 83101038
3,5-dichloro-2-iodo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83101239

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide (CID 112631345) is 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide is COc1n[nH]c(NC(=O)c2ccc(F)cc2C)n1.
What is the InChIKey of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide?
The InChIKey is SSSKOKUSZONXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-6-5-7(12)3-4-8(6)9(17)13-10-14-11(18-2)16-15-10/h3-5H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide?
4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide has a molecular weight of 250.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 112631345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).