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

C21H17F3N2O2 — CID 112982662

IUPAC2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C21H17F3N2O2/c1-28-18-5-3-2-4-13(18)12-25-14-6-8-15(9-7-14)26-21(27)16-10-11-17(22)20(24)19(16)23/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyCAIUUFADPXKLLW-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.98
Rot. Bonds6

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

2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide (PubChem CID 112982662) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
PubChem CID112982662
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C21H17F3N2O2/c1-28-18-5-3-2-4-13(18)12-25-14-6-8-15(9-7-14)26-21(27)16-10-11-17(22)20(24)19(16)23/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyCAIUUFADPXKLLW-UHFFFAOYSA-N
XLogP4.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-2-methoxybenzamide
CID 112983392
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-methoxybenzamide
CID 113026998
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129
2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide
CID 112982626
2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980375
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282335

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide (CID 112982662) is 2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide is COc1ccccc1CNc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide?
The InChIKey is CAIUUFADPXKLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-28-18-5-3-2-4-13(18)12-25-14-6-8-15(9-7-14)26-21(27)16-10-11-17(22)20(24)19(16)23/h2-11,25H,12H2,1H3,(H,26,27).
What are the key properties of 2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide?
2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide has a molecular weight of 386.37 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide is sourced from PubChem (CID 112982662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).