N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide

C15H9F3N2O4 — CID 89152402

IUPACN-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide
SMILESO=Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O4/c16-15(17,18)13-7-11(20(23)24)4-5-12(13)14(22)19-10-3-1-2-9(6-10)8-21/h1-8H,(H,19,22)
InChIKeyWNYHFLPKTBLNFJ-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.68
Rot. Bonds4

About N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide

N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide (PubChem CID 89152402) has the molecular formula C15H9F3N2O4 and a molecular weight of 338.24 g/mol. Its IUPAC name is N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide
PubChem CID89152402
Molecular FormulaC15H9F3N2O4
Molecular Weight338.24 g/mol
Exact Mass338.05
IUPAC NameN-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide
SMILESO=Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O4/c16-15(17,18)13-7-11(20(23)24)4-5-12(13)14(22)19-10-3-1-2-9(6-10)8-21/h1-8H,(H,19,22)
InChIKeyWNYHFLPKTBLNFJ-UHFFFAOYSA-N
XLogP3.68
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)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

4-fluoro-N-(3-formylphenyl)-2-nitrobenzamide
CID 106912712
4-nitro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 3942380
N-(3-formylphenyl)-2-methyl-3-nitrobenzamide
CID 106912464
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
1-(3-formylphenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 90104893
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
CID 141401924
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide
CID 92526201

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide (CID 89152402) is N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide is O=Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1.
What is the InChIKey of N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide?
The InChIKey is WNYHFLPKTBLNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O4/c16-15(17,18)13-7-11(20(23)24)4-5-12(13)14(22)19-10-3-1-2-9(6-10)8-21/h1-8H,(H,19,22).
What are the key properties of N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide?
N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide has a molecular weight of 338.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-4-nitro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 89152402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).