N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide

C16H13F2N5O — CID 51101650

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H13F2N5O/c17-12-7-11(8-13(18)9-12)5-6-19-16(24)14-3-1-2-4-15(14)23-10-20-21-22-23/h1-4,7-10H,5-6H2,(H,19,24)
InChIKeyVXRFLHAPDJQGHS-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.91
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide

N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 51101650) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID51101650
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H13F2N5O/c17-12-7-11(8-13(18)9-12)5-6-19-16(24)14-3-1-2-4-15(14)23-10-20-21-22-23/h1-4,7-10H,5-6H2,(H,19,24)
InChIKeyVXRFLHAPDJQGHS-UHFFFAOYSA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 29131778
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 71707777
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 29139683

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 51101650) is N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide is O=C(NCCc1cc(F)cc(F)c1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is VXRFLHAPDJQGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-12-7-11(8-13(18)9-12)5-6-19-16(24)14-3-1-2-4-15(14)23-10-20-21-22-23/h1-4,7-10H,5-6H2,(H,19,24).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 329.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51101650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).