2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C11H11FN4O2 — CID 113227599

IUPAC2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ncn[nH]2)c(F)c1
InChIInChI=1S/C11H11FN4O2/c1-18-7-2-3-8(9(12)4-7)11(17)13-5-10-14-6-15-16-10/h2-4,6H,5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyXQYCWQOMYMDGTM-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.88
Rot. Bonds4

About 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 113227599) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID113227599
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ncn[nH]2)c(F)c1
InChIInChI=1S/C11H11FN4O2/c1-18-7-2-3-8(9(12)4-7)11(17)13-5-10-14-6-15-16-10/h2-4,6H,5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyXQYCWQOMYMDGTM-UHFFFAOYSA-N
XLogP0.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 102884080
2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531620
5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61117794
2-amino-4,5-dimethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61118251
2-bromo-5-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64546437
3-bromo-4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113244827
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883628
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 113227599) is 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is COc1ccc(C(=O)NCc2ncn[nH]2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is XQYCWQOMYMDGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-18-7-2-3-8(9(12)4-7)11(17)13-5-10-14-6-15-16-10/h2-4,6H,5H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 250.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 113227599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).