2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C14H16Cl2F3N3O2 — CID 78787931

IUPAC2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2F3N3O2/c1-8(13(24)20-7-14(17,18)19)22(2)6-12(23)21-9-3-4-10(15)11(16)5-9/h3-5,8H,6-7H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYJMMAAPCZMIDMC-UHFFFAOYSA-N
MW386.20 g/mol
LogP2.93
Rot. Bonds6

About 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78787931) has the molecular formula C14H16Cl2F3N3O2 and a molecular weight of 386.20 g/mol. Its IUPAC name is 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78787931
Molecular FormulaC14H16Cl2F3N3O2
Molecular Weight386.20 g/mol
Exact Mass385.06
IUPAC Name2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2F3N3O2/c1-8(13(24)20-7-14(17,18)19)22(2)6-12(23)21-9-3-4-10(15)11(16)5-9/h3-5,8H,6-7H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYJMMAAPCZMIDMC-UHFFFAOYSA-N
XLogP2.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.20
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 30926146
(2R)-N-carbamoyl-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38349898
N-(5-chloro-2-methoxyphenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801808
(2S)-N-(2-chloro-5-nitrophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 41093919
N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46630518
N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351803
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 40817156
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46561916
(2R)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-cyanophenyl)propanamide
CID 2462077
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 41169611

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 78787931) is 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YJMMAAPCZMIDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F3N3O2/c1-8(13(24)20-7-14(17,18)19)22(2)6-12(23)21-9-3-4-10(15)11(16)5-9/h3-5,8H,6-7H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 386.20 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78787931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).