2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide

C14H8ClF3N2O3 — CID 774440

IUPAC2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H8ClF3N2O3/c15-12-5-4-10(20(22)23)7-11(12)13(21)19-9-3-1-2-8(6-9)14(16,17)18/h1-7H,(H,19,21)
InChIKeySFJFXIOPXAMPRV-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.52
Rot. Bonds3

About 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide

2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 774440) has the molecular formula C14H8ClF3N2O3 and a molecular weight of 344.68 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID774440
Molecular FormulaC14H8ClF3N2O3
Molecular Weight344.68 g/mol
Exact Mass344.02
IUPAC Name2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H8ClF3N2O3/c15-12-5-4-10(20(22)23)7-11(12)13(21)19-9-3-1-2-8(6-9)14(16,17)18/h1-7H,(H,19,21)
InChIKeySFJFXIOPXAMPRV-UHFFFAOYSA-N
XLogP4.52
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.52
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

4-nitro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 3942380
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
2-chloro-5-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1310378
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60589058
5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide
CID 5304147
5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 45428362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide (CID 774440) is 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SFJFXIOPXAMPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O3/c15-12-5-4-10(20(22)23)7-11(12)13(21)19-9-3-1-2-8(6-9)14(16,17)18/h1-7H,(H,19,21).
What are the key properties of 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 344.68 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 774440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).