2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide

C20H15F3N2O — CID 112986117

IUPAC2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide
SMILESCN(c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H15F3N2O/c1-25(14-5-3-2-4-6-14)15-9-7-13(8-10-15)24-20(26)16-11-12-17(21)19(23)18(16)22/h2-12H,1H3,(H,24,26)
InChIKeyRYJGWQQVDUMDJX-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.12
Rot. Bonds4

About 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide

2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide (PubChem CID 112986117) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide
PubChem CID112986117
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC Name2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide
SMILESCN(c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H15F3N2O/c1-25(14-5-3-2-4-6-14)15-9-7-13(8-10-15)24-20(26)16-11-12-17(21)19(23)18(16)22/h2-12H,1H3,(H,24,26)
InChIKeyRYJGWQQVDUMDJX-UHFFFAOYSA-N
XLogP5.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
3,5-dichloro-N-[4-(N-methylanilino)phenyl]benzamide
CID 22886497
2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982662
2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980375
N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 170144431
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999
2,3,4-trifluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 110725048
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
N-[4-(N-methylanilino)phenyl]butanamide
CID 112986076
methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94915286

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide (CID 112986117) is 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide is CN(c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide?
The InChIKey is RYJGWQQVDUMDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c1-25(14-5-3-2-4-6-14)15-9-7-13(8-10-15)24-20(26)16-11-12-17(21)19(23)18(16)22/h2-12H,1H3,(H,24,26).
What are the key properties of 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide?
2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide has a molecular weight of 356.35 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-(N-methylanilino)phenyl]benzamide is sourced from PubChem (CID 112986117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).