N-(3,5-difluorophenyl)-3-nitrobenzamide

C13H8F2N2O3 — CID 2990730

IUPACN-(3,5-difluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8F2N2O3/c14-9-5-10(15)7-11(6-9)16-13(18)8-2-1-3-12(4-8)17(19)20/h1-7H,(H,16,18)
InChIKeyAQDCWOLRDVNHLH-UHFFFAOYSA-N
MW278.21 g/mol
LogP3.13
Rot. Bonds3

About N-(3,5-difluorophenyl)-3-nitrobenzamide

N-(3,5-difluorophenyl)-3-nitrobenzamide (PubChem CID 2990730) has the molecular formula C13H8F2N2O3 and a molecular weight of 278.21 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-nitrobenzamide
PubChem CID2990730
Molecular FormulaC13H8F2N2O3
Molecular Weight278.21 g/mol
Exact Mass278.05
IUPAC NameN-(3,5-difluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H8F2N2O3/c14-9-5-10(15)7-11(6-9)16-13(18)8-2-1-3-12(4-8)17(19)20/h1-7H,(H,16,18)
InChIKeyAQDCWOLRDVNHLH-UHFFFAOYSA-N
XLogP3.13
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-nitrobenzamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-nitrobenzamide (CID 2990730) is N-(3,5-difluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-nitrobenzamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-nitrobenzamide is O=C(Nc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-nitrobenzamide?
The InChIKey is AQDCWOLRDVNHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3/c14-9-5-10(15)7-11(6-9)16-13(18)8-2-1-3-12(4-8)17(19)20/h1-7H,(H,16,18).
What are the key properties of N-(3,5-difluorophenyl)-3-nitrobenzamide?
N-(3,5-difluorophenyl)-3-nitrobenzamide has a molecular weight of 278.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 2990730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).