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

C22H19F3N2O — CID 59316493

IUPAC3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CNCc3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C22H19F3N2O/c23-22(24,25)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)
InChIKeyDWRNUDDZVHKTBP-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.76
Rot. Bonds6

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

3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide (PubChem CID 59316493) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
PubChem CID59316493
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(CNCc3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C22H19F3N2O/c23-22(24,25)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)
InChIKeyDWRNUDDZVHKTBP-UHFFFAOYSA-N
XLogP4.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride
CID 68604070
3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]phenyl]benzamide
CID 59316443
3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
CID 28650471
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 25213074
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
CID 68758850
3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107
3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 87512737
3-[4-[[2-(2,4,5-trifluoro-3-methylphenyl)ethylamino]methyl]phenyl]benzamide
CID 87232301
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide?
The IUPAC name of 3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide (CID 59316493) is 3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide is NC(=O)c1cccc(-c2ccc(CNCc3ccccc3C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide?
The InChIKey is DWRNUDDZVHKTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O/c23-22(24,25)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-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide?
3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide has a molecular weight of 384.40 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 59316493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).