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

C14H8ClF3N2O3 — CID 1105898

IUPAC4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H8ClF3N2O3/c15-9-4-5-11(12(7-9)20(22)23)13(21)19-10-3-1-2-8(6-10)14(16,17)18/h1-7H,(H,19,21)
InChIKeyIPABVJNCYQICCJ-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.52
Rot. Bonds3

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

4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 1105898) has the molecular formula C14H8ClF3N2O3 and a molecular weight of 344.68 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID1105898
Molecular FormulaC14H8ClF3N2O3
Molecular Weight344.68 g/mol
Exact Mass344.02
IUPAC Name4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H8ClF3N2O3/c15-9-4-5-11(12(7-9)20(22)23)13(21)19-10-3-1-2-8(6-10)14(16,17)18/h1-7H,(H,19,21)
InChIKeyIPABVJNCYQICCJ-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

N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 34198576
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9293301
5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684275
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
4-nitro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 3942380
4-chloro-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-nitrobenzamide
CID 26379703
propyl 3-[(4-chloro-2-nitrobenzoyl)amino]benzoate
CID 19171818
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 22245107
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
CID 64793088

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide (CID 1105898) is 4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IPABVJNCYQICCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O3/c15-9-4-5-11(12(7-9)20(22)23)13(21)19-10-3-1-2-8(6-10)14(16,17)18/h1-7H,(H,19,21).
What are the key properties of 4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide?
4-chloro-2-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 4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1105898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).