N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

C25H24F4N2O — CID 58898003

IUPACN-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCN(C)Cc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H24F4N2O/c1-31(2)16-18-8-10-19(11-9-18)23(14-17-6-4-3-5-7-17)30-24(32)20-12-13-22(26)21(15-20)25(27,28)29/h3-13,15,23H,14,16H2,1-2H3,(H,30,32)/t23-/m0/s1
InChIKeyZLYSZSGVTFGFPP-QHCPKHFHSA-N
MW444.47 g/mol
LogP5.62
Rot. Bonds7

About N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 58898003) has the molecular formula C25H24F4N2O and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID58898003
Molecular FormulaC25H24F4N2O
Molecular Weight444.47 g/mol
Exact Mass444.18
IUPAC NameN-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCN(C)Cc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H24F4N2O/c1-31(2)16-18-8-10-19(11-9-18)23(14-17-6-4-3-5-7-17)30-24(32)20-12-13-22(26)21(15-20)25(27,28)29/h3-13,15,23H,14,16H2,1-2H3,(H,30,32)/t23-/m0/s1
InChIKeyZLYSZSGVTFGFPP-QHCPKHFHSA-N
XLogP5.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)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

N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 171688977
4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
CID 70989867
4-fluoro-N-(1-iodo-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 107859911
4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
CID 62045877
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide
CID 4318672
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
(2S)-2-[[4-[(dibenzylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 72545523
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63213334
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
[4-[(2S)-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-3-oxo-3-(prop-2-ynylamino)propyl]phenyl] ethenesulfonate
CID 72836913
4-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide
CID 42754471

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 58898003) is N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is CN(C)Cc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is ZLYSZSGVTFGFPP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24F4N2O/c1-31(2)16-18-8-10-19(11-9-18)23(14-17-6-4-3-5-7-17)30-24(32)20-12-13-22(26)21(15-20)25(27,28)29/h3-13,15,23H,14,16H2,1-2H3,(H,30,32)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 444.47 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58898003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).