(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide

C17H16Cl3FN2O — CID 2498448

IUPAC(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(C)Cc1ccccc1F
InChIInChI=1S/C17H16Cl3FN2O/c1-10(23(2)9-11-5-3-4-6-15(11)21)17(24)22-16-8-13(19)12(18)7-14(16)20/h3-8,10H,9H2,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyDTLWMUBZSXSONR-JTQLQIEISA-N
MW389.69 g/mol
LogP5.24
Rot. Bonds5

About (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide

(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 2498448) has the molecular formula C17H16Cl3FN2O and a molecular weight of 389.69 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID2498448
Molecular FormulaC17H16Cl3FN2O
Molecular Weight389.69 g/mol
Exact Mass388.03
IUPAC Name(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(C)Cc1ccccc1F
InChIInChI=1S/C17H16Cl3FN2O/c1-10(23(2)9-11-5-3-4-6-15(11)21)17(24)22-16-8-13(19)12(18)7-14(16)20/h3-8,10H,9H2,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyDTLWMUBZSXSONR-JTQLQIEISA-N
XLogP5.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.69
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
(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
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517821
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097
N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664454
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517945
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 55524827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide (CID 2498448) is (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide is C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(C)Cc1ccccc1F.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is DTLWMUBZSXSONR-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16Cl3FN2O/c1-10(23(2)9-11-5-3-4-6-15(11)21)17(24)22-16-8-13(19)12(18)7-14(16)20/h3-8,10H,9H2,1-2H3,(H,22,24)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide?
(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 389.69 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 2498448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).