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

C14H9F3N2O3 — CID 709324

IUPAC3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-6-11(7-5-10)18-13(20)9-2-1-3-12(8-9)19(21)22/h1-8H,(H,18,20)
InChIKeyCIRDLCSIJNBPLD-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.87
Rot. Bonds3

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

3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 709324) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID709324
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-6-11(7-5-10)18-13(20)9-2-1-3-12(8-9)19(21)22/h1-8H,(H,18,20)
InChIKeyCIRDLCSIJNBPLD-UHFFFAOYSA-N
XLogP3.87
TPSA72.24 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 ≤ 53.87
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-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
3-nitro-N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 40833249
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
3-nitro-N-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 2985479
3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 24626073
3-nitro-N-[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]benzamide
CID 23098947

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide (CID 709324) is 3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CIRDLCSIJNBPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-6-11(7-5-10)18-13(20)9-2-1-3-12(8-9)19(21)22/h1-8H,(H,18,20).
What are the key properties of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide?
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 310.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 709324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).