N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide

C16H12F2N6O2 — CID 24686426

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(CNC(=O)c1cccc(-n2cnnn2)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N6O2/c17-13-5-4-11(7-14(13)18)21-15(25)8-19-16(26)10-2-1-3-12(6-10)24-9-20-22-23-24/h1-7,9H,8H2,(H,19,26)(H,21,25)
InChIKeyGLVPTKRHCPFZOB-UHFFFAOYSA-N
MW358.31 g/mol
LogP1.31
Rot. Bonds5

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 24686426) has the molecular formula C16H12F2N6O2 and a molecular weight of 358.31 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID24686426
Molecular FormulaC16H12F2N6O2
Molecular Weight358.31 g/mol
Exact Mass358.10
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(CNC(=O)c1cccc(-n2cnnn2)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N6O2/c17-13-5-4-11(7-14(13)18)21-15(25)8-19-16(26)10-2-1-3-12(6-10)24-9-20-22-23-24/h1-7,9H,8H2,(H,19,26)(H,21,25)
InChIKeyGLVPTKRHCPFZOB-UHFFFAOYSA-N
XLogP1.31
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide (CID 24686426) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide is O=C(CNC(=O)c1cccc(-n2cnnn2)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is GLVPTKRHCPFZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O2/c17-13-5-4-11(7-14(13)18)21-15(25)8-19-16(26)10-2-1-3-12(6-10)24-9-20-22-23-24/h1-7,9H,8H2,(H,19,26)(H,21,25).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 358.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 24686426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).