N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide

C16H13F2N5O — CID 51150347

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(NC(=O)c1ccccc1-n1cnnn1)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N5O/c1-10(12-7-6-11(17)8-14(12)18)20-16(24)13-4-2-3-5-15(13)23-9-19-21-22-23/h2-10H,1H3,(H,20,24)
InChIKeyHBWRPQLJHLIYRT-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.43
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide

N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 51150347) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID51150347
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(NC(=O)c1ccccc1-n1cnnn1)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N5O/c1-10(12-7-6-11(17)8-14(12)18)20-16(24)13-4-2-3-5-15(13)23-9-19-21-22-23/h2-10H,1H3,(H,20,24)
InChIKeyHBWRPQLJHLIYRT-UHFFFAOYSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 51150347) is N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide is CC(NC(=O)c1ccccc1-n1cnnn1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is HBWRPQLJHLIYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c1-10(12-7-6-11(17)8-14(12)18)20-16(24)13-4-2-3-5-15(13)23-9-19-21-22-23/h2-10H,1H3,(H,20,24).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 329.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51150347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).