(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide

C17H18F2N2O — CID 8517815

IUPAC(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1F)N(C)Cc1ccccc1F
InChIInChI=1S/C17H18F2N2O/c1-12(17(22)20-16-10-6-5-9-15(16)19)21(2)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyYSFSEIPQZACWNA-LBPRGKRZSA-N
MW304.34 g/mol
LogP3.42
Rot. Bonds5

About (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide

(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide (PubChem CID 8517815) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
PubChem CID8517815
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1F)N(C)Cc1ccccc1F
InChIInChI=1S/C17H18F2N2O/c1-12(17(22)20-16-10-6-5-9-15(16)19)21(2)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyYSFSEIPQZACWNA-LBPRGKRZSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 4879414
(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 2498448
(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 8009004
N-(2-fluorophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 46801756
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 27072122
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide (CID 8517815) is (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide is C[C@@H](C(=O)Nc1ccccc1F)N(C)Cc1ccccc1F.
What is the InChIKey of (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The InChIKey is YSFSEIPQZACWNA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-12(17(22)20-16-10-6-5-9-15(16)19)21(2)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide has a molecular weight of 304.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8517815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).