2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide

C16H12F3N5O3 — CID 51123664

IUPAC2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)c1OC(F)F
InChIInChI=1S/C16H12F3N5O3/c1-26-13-4-2-3-10(14(13)27-16(18)19)15(25)21-12-7-9(5-6-11(12)17)24-8-20-22-23-24/h2-8,16H,1H3,(H,21,25)
InChIKeyIEWZPTVVPSBUHH-UHFFFAOYSA-N
MW379.30 g/mol
LogP2.66
Rot. Bonds6

About 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide

2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 51123664) has the molecular formula C16H12F3N5O3 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide
PubChem CID51123664
Molecular FormulaC16H12F3N5O3
Molecular Weight379.30 g/mol
Exact Mass379.09
IUPAC Name2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)c1OC(F)F
InChIInChI=1S/C16H12F3N5O3/c1-26-13-4-2-3-10(14(13)27-16(18)19)15(25)21-12-7-9(5-6-11(12)17)24-8-20-22-23-24/h2-8,16H,1H3,(H,21,25)
InChIKeyIEWZPTVVPSBUHH-UHFFFAOYSA-N
XLogP2.66
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide (CID 51123664) is 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is IEWZPTVVPSBUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O3/c1-26-13-4-2-3-10(14(13)27-16(18)19)15(25)21-12-7-9(5-6-11(12)17)24-8-20-22-23-24/h2-8,16H,1H3,(H,21,25).
What are the key properties of 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide?
2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide has a molecular weight of 379.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 51123664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).