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

C16H11F3N4O2 — CID 47049146

IUPAC2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccccc1OC(F)F
InChIInChI=1S/C16H11F3N4O2/c17-12-7-10(5-6-13(12)23-9-20-8-21-23)22-15(24)11-3-1-2-4-14(11)25-16(18)19/h1-9,16H,(H,22,24)
InChIKeyGGNCOLVDNRHGMA-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.26
Rot. Bonds5

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

2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 47049146) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID47049146
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC Name2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccccc1OC(F)F
InChIInChI=1S/C16H11F3N4O2/c17-12-7-10(5-6-13(12)23-9-20-8-21-23)22-15(24)11-3-1-2-4-14(11)25-16(18)19/h1-9,16H,(H,22,24)
InChIKeyGGNCOLVDNRHGMA-UHFFFAOYSA-N
XLogP3.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7711579
N-(4-Methoxy-phenyl)-3-tetrazol-1-yl-benzamide
CID 644455
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-methoxybenzamide
CID 707927
3-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9502972
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
CID 18084463
N-[3-(1H-tetrazol-1-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 7693248
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(difluoromethoxy)benzamide
CID 18084497
(E)-1-[3-(difluoromethoxy)phenyl]-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
CID 25475227
2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8933285
N-(4-methoxyphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 779650
3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide
CID 138753623
4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2335100

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 47049146) is 2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is GGNCOLVDNRHGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c17-12-7-10(5-6-13(12)23-9-20-8-21-23)22-15(24)11-3-1-2-4-14(11)25-16(18)19/h1-9,16H,(H,22,24).
What are the key properties of 2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 348.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 47049146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).