3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide

C14H7F5N2O3 — CID 67040567

IUPAC3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7F5N2O3/c15-9-4-7(3-8(5-9)14(17,18)19)13(22)20-10-1-2-11(16)12(6-10)21(23)24/h1-6H,(H,20,22)
InChIKeyCINVPYOXHACBDA-UHFFFAOYSA-N
MW346.21 g/mol
LogP4.14
Rot. Bonds3

About 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide

3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide (PubChem CID 67040567) has the molecular formula C14H7F5N2O3 and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
PubChem CID67040567
Molecular FormulaC14H7F5N2O3
Molecular Weight346.21 g/mol
Exact Mass346.04
IUPAC Name3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7F5N2O3/c15-9-4-7(3-8(5-9)14(17,18)19)13(22)20-10-1-2-11(16)12(6-10)21(23)24/h1-6H,(H,20,22)
InChIKeyCINVPYOXHACBDA-UHFFFAOYSA-N
XLogP4.14
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 54.14
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

3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-(4-fluoro-3-nitrophenyl)-4-(trifluoromethyl)benzenecarbothioamide
CID 72942556
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669
N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822202
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
3,4-difluoro-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
CID 112807209
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696939

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide (CID 67040567) is 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is CINVPYOXHACBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N2O3/c15-9-4-7(3-8(5-9)14(17,18)19)13(22)20-10-1-2-11(16)12(6-10)21(23)24/h1-6H,(H,20,22).
What are the key properties of 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide?
3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 346.21 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 67040567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).