N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide

C23H20F2N2O2 — CID 38228396

IUPACN-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20F2N2O2/c1-27(15-18-12-13-19(24)14-20(18)25)23(29)21(16-8-4-2-5-9-16)26-22(28)17-10-6-3-7-11-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m0/s1
InChIKeySOIFAOQABSHADF-NRFANRHFSA-N
MW394.42 g/mol
LogP4.09
Rot. Bonds6

About N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide

N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide (PubChem CID 38228396) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide
PubChem CID38228396
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC NameN-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20F2N2O2/c1-27(15-18-12-13-19(24)14-20(18)25)23(29)21(16-8-4-2-5-9-16)26-22(28)17-10-6-3-7-11-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m0/s1
InChIKeySOIFAOQABSHADF-NRFANRHFSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]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-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
CID 55455707
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55536599
N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 55542481
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid
CID 120518052
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide (CID 38228396) is N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide is CN(Cc1ccc(F)cc1F)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide?
The InChIKey is SOIFAOQABSHADF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c1-27(15-18-12-13-19(24)14-20(18)25)23(29)21(16-8-4-2-5-9-16)26-22(28)17-10-6-3-7-11-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide?
N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide has a molecular weight of 394.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 38228396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).