2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide

C14H9F3N2O3 — CID 22245167

IUPAC2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)9-6-4-8(5-7-9)10-2-1-3-11(13(18)20)12(10)19(21)22/h1-7H,(H2,18,20)
InChIKeyUDMJBPZVSXJNAL-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.38
Rot. Bonds3

About 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide

2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 22245167) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID22245167
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)9-6-4-8(5-7-9)10-2-1-3-11(13(18)20)12(10)19(21)22/h1-7H,(H2,18,20)
InChIKeyUDMJBPZVSXJNAL-UHFFFAOYSA-N
XLogP3.38
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.38
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'}

Analyze 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-3-sulfanylbenzamide
CID 151776475
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
2-chloro-1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 119024808
3-nitro-2-(trifluoromethyl)benzamide
CID 131870243
1-(2-nitro-3-phenylphenyl)ethanone
CID 67871724
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103643
[(2S)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103644
[2-(4-nitroanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 5080642
2-chloro-3-nitro-4-phenylbenzamide
CID 141121877

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide (CID 22245167) is 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-].
What is the InChIKey of 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UDMJBPZVSXJNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)9-6-4-8(5-7-9)10-2-1-3-11(13(18)20)12(10)19(21)22/h1-7H,(H2,18,20).
What are the key properties of 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide?
2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 310.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 22245167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).