2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

C19H18Cl2F3N3O2 — CID 41193300

IUPAC2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESC[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2F3N3O2/c1-10(11-3-4-12(20)13(21)7-11)25-16(28)8-27(2)9-17(29)26-15-6-5-14(22)18(23)19(15)24/h3-7,10H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t10-/m1/s1
InChIKeyGDWHQHYONPGDJZ-SNVBAGLBSA-N
MW448.27 g/mol
LogP4.16
Rot. Bonds7

About 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 41193300) has the molecular formula C19H18Cl2F3N3O2 and a molecular weight of 448.27 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID41193300
Molecular FormulaC19H18Cl2F3N3O2
Molecular Weight448.27 g/mol
Exact Mass447.07
IUPAC Name2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESC[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2F3N3O2/c1-10(11-3-4-12(20)13(21)7-11)25-16(28)8-27(2)9-17(29)26-15-6-5-14(22)18(23)19(15)24/h3-7,10H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t10-/m1/s1
InChIKeyGDWHQHYONPGDJZ-SNVBAGLBSA-N
XLogP4.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.27
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2120375
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113179533
methyl (2S,3R)-3-methyl-2-[[2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetyl]amino]pentanoate
CID 8550979
2-[[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 42913912
2-[methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197781
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287679
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 9197701
N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 41230794
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-[[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913222

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 41193300) is 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is GDWHQHYONPGDJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H18Cl2F3N3O2/c1-10(11-3-4-12(20)13(21)7-11)25-16(28)8-27(2)9-17(29)26-15-6-5-14(22)18(23)19(15)24/h3-7,10H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t10-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 448.27 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 41193300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).