2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C10H8F2N6O3 — CID 79758317

IUPAC2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1nn[nH]n1
InChIInChI=1S/C10H8F2N6O3/c1-4(9-14-16-17-15-9)13-10(19)7-5(11)2-3-6(8(7)12)18(20)21/h2-4H,1H3,(H,13,19)(H,14,15,16,17)
InChIKeyHRCFVJWNUAJLTG-UHFFFAOYSA-N
MW298.21 g/mol
LogP0.88
Rot. Bonds4

About 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 79758317) has the molecular formula C10H8F2N6O3 and a molecular weight of 298.21 g/mol. Its IUPAC name is 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID79758317
Molecular FormulaC10H8F2N6O3
Molecular Weight298.21 g/mol
Exact Mass298.06
IUPAC Name2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1nn[nH]n1
InChIInChI=1S/C10H8F2N6O3/c1-4(9-14-16-17-15-9)13-10(19)7-5(11)2-3-6(8(7)12)18(20)21/h2-4H,1H3,(H,13,19)(H,14,15,16,17)
InChIKeyHRCFVJWNUAJLTG-UHFFFAOYSA-N
XLogP0.88
TPSA126.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-(3-methylpentan-2-yl)-3-nitrobenzamide
CID 103740622
ethyl 2-[(2,6-difluoro-3-nitrobenzoyl)amino]propanoate
CID 79757786
N-(4-ethylsulfanylbutan-2-yl)-2,6-difluoro-3-nitrobenzamide
CID 103740722
2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)-3-nitrobenzamide
CID 103740069
4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62247833
2,6-difluoro-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103740568
N-(1-aminobutan-2-yl)-2,6-difluoro-3-nitrobenzamide
CID 79772922
3-[(2,6-difluoro-3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 79773538
(2S)-2-[(2,6-difluoro-3-nitrobenzoyl)amino]-3-hydroxypropanoic acid
CID 79773251
2,6-difluoro-3-nitro-N-(2-propan-2-yloxyethyl)benzamide
CID 104582048
2,6-difluoro-N-(1-methylsulfanylbutan-2-yl)-3-nitrobenzamide
CID 103916598
4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62160244

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 79758317) is 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(NC(=O)c1c(F)ccc([N+](=O)[O-])c1F)c1nn[nH]n1.
What is the InChIKey of 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is HRCFVJWNUAJLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N6O3/c1-4(9-14-16-17-15-9)13-10(19)7-5(11)2-3-6(8(7)12)18(20)21/h2-4H,1H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 298.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 79758317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).