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

C14H9F3N2O3 — CID 767050

IUPAC3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-2-5-11(8-10)18-13(20)9-3-1-6-12(7-9)19(21)22/h1-8H,(H,18,20)
InChIKeyUJNOYTXEORQEGS-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.87
Rot. Bonds3

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

3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 767050) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID767050
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-2-5-11(8-10)18-13(20)9-3-1-6-12(7-9)19(21)22/h1-8H,(H,18,20)
InChIKeyUJNOYTXEORQEGS-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-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 24626073
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
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-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
3-nitro-N-[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]benzamide
CID 23098947
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
3-[(4-nitrobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26168227
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
4-nitro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 3942380

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide (CID 767050) is 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UJNOYTXEORQEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-2-5-11(8-10)18-13(20)9-3-1-6-12(7-9)19(21)22/h1-8H,(H,18,20).
What are the key properties of 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
3-nitro-N-[3-(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-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 767050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).