3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide

C22H19F3N2O2 — CID 59316443

IUPAC3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CNCc3ccccc3OC(F)(F)F)cc2)c1
InChIInChI=1S/C22H19F3N2O2/c23-22(24,25)29-20-7-2-1-4-19(20)14-27-13-15-8-10-16(11-9-15)17-5-3-6-18(12-17)21(26)28/h1-12,27H,13-14H2,(H2,26,28)
InChIKeyYBQTWSZLRMFGGV-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.64
Rot. Bonds7

About 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide

3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide (PubChem CID 59316443) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide
PubChem CID59316443
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CNCc3ccccc3OC(F)(F)F)cc2)c1
InChIInChI=1S/C22H19F3N2O2/c23-22(24,25)29-20-7-2-1-4-19(20)14-27-13-15-8-10-16(11-9-15)17-5-3-6-18(12-17)21(26)28/h1-12,27H,13-14H2,(H2,26,28)
InChIKeyYBQTWSZLRMFGGV-UHFFFAOYSA-N
XLogP4.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59316493
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1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
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3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
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3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
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3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 25213074
2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 106170862
4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
CID 46657919
3-[4-[[2-(2,4,5-trifluoro-3-methylphenyl)ethylamino]methyl]phenyl]benzamide
CID 87232301
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
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1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide?
The IUPAC name of 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide (CID 59316443) is 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide is NC(=O)c1cccc(-c2ccc(CNCc3ccccc3OC(F)(F)F)cc2)c1.
What is the InChIKey of 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide?
The InChIKey is YBQTWSZLRMFGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c23-22(24,25)29-20-7-2-1-4-19(20)14-27-13-15-8-10-16(11-9-15)17-5-3-6-18(12-17)21(26)28/h1-12,27H,13-14H2,(H2,26,28).
What are the key properties of 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide?
3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide has a molecular weight of 400.40 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 59316443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).