N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide

C14H8F4N2O3 — CID 18190863

IUPACN-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F4N2O3/c15-11-6-5-10(20(22)23)7-12(11)19-13(21)8-1-3-9(4-2-8)14(16,17)18/h1-7H,(H,19,21)
InChIKeyBYXBDKLFGSICPN-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.01
Rot. Bonds3

About N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide

N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide (PubChem CID 18190863) has the molecular formula C14H8F4N2O3 and a molecular weight of 328.22 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
PubChem CID18190863
Molecular FormulaC14H8F4N2O3
Molecular Weight328.22 g/mol
Exact Mass328.05
IUPAC NameN-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F4N2O3/c15-11-6-5-10(20(22)23)7-12(11)19-13(21)8-1-3-9(4-2-8)14(16,17)18/h1-7H,(H,19,21)
InChIKeyBYXBDKLFGSICPN-UHFFFAOYSA-N
XLogP4.01
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.01
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

methyl 4-nitro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 69206811
N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide
CID 78788740
4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide
CID 23877677
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 170761389
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952710
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 103826554
N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 18190867

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide (CID 18190863) is N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is BYXBDKLFGSICPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O3/c15-11-6-5-10(20(22)23)7-12(11)19-13(21)8-1-3-9(4-2-8)14(16,17)18/h1-7H,(H,19,21).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide?
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 328.22 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 18190863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).