N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide

C14H8ClF3N2O3 — CID 3582375

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8ClF3N2O3/c15-11-6-3-9(14(16,17)18)7-12(11)19-13(21)8-1-4-10(5-2-8)20(22)23/h1-7H,(H,19,21)
InChIKeyYMEWHOAJLHFLBF-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.52
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide (PubChem CID 3582375) has the molecular formula C14H8ClF3N2O3 and a molecular weight of 344.68 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
PubChem CID3582375
Molecular FormulaC14H8ClF3N2O3
Molecular Weight344.68 g/mol
Exact Mass344.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8ClF3N2O3/c15-11-6-3-9(14(16,17)18)7-12(11)19-13(21)8-1-4-10(5-2-8)20(22)23/h1-7H,(H,19,21)
InChIKeyYMEWHOAJLHFLBF-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

(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-nitrophenyl)-3-oxopropanamide
CID 92508875
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dinitrobenzamide
CID 3111250
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421990
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4158192
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[(4-nitrobenzoyl)amino]phenyl]propan-2-yl]-2-hydroxyphenyl]-4-nitrobenzamide
CID 5122238
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide (CID 3582375) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide?
The InChIKey is YMEWHOAJLHFLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O3/c15-11-6-3-9(14(16,17)18)7-12(11)19-13(21)8-1-4-10(5-2-8)20(22)23/h1-7H,(H,19,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide 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 N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 3582375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).