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

C15H11F3N2O3 — CID 27052911

IUPAC2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(21)12-3-1-2-4-13(12)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyRMXRZRZLNXAPLW-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.54
Rot. Bonds4

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

2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 27052911) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID27052911
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(21)12-3-1-2-4-13(12)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyRMXRZRZLNXAPLW-UHFFFAOYSA-N
XLogP3.54
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.54
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-[(4-bromophenyl)methyl]-2-nitrobenzamide
CID 60582772
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-nitrobenzamide
CID 90534706
5-methylsulfanyl-2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052978
4-(2-nitrophenyl)-5-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide
CID 175986787
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
N-[(4-tert-butylphenyl)methyl]-5-nitronaphthalene-1-carboxamide
CID 69058832
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-nitrobenzamide
CID 15895800
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 27052442
2-methyl-1-[(2-nitrophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111420877
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 27052911) is 2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is RMXRZRZLNXAPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(21)12-3-1-2-4-13(12)20(22)23/h1-8H,9H2,(H,19,21).
What are the key properties of 2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 324.26 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 27052911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).