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

C19H19Cl2F2N3O2 — CID 41230794

IUPACN-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESC[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H19Cl2F2N3O2/c1-11(14-5-3-12(22)7-17(14)23)24-18(27)9-26(2)10-19(28)25-13-4-6-15(20)16(21)8-13/h3-8,11H,9-10H2,1-2H3,(H,24,27)(H,25,28)/t11-/m1/s1
InChIKeyXBTAQCWJWQYZSH-LLVKDONJSA-N
MW430.28 g/mol
LogP4.02
Rot. Bonds7

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

N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 41230794) has the molecular formula C19H19Cl2F2N3O2 and a molecular weight of 430.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID41230794
Molecular FormulaC19H19Cl2F2N3O2
Molecular Weight430.28 g/mol
Exact Mass429.08
IUPAC NameN-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESC[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H19Cl2F2N3O2/c1-11(14-5-3-12(22)7-17(14)23)24-18(27)9-26(2)10-19(28)25-13-4-6-15(20)16(21)8-13/h3-8,11H,9-10H2,1-2H3,(H,24,27)(H,25,28)/t11-/m1/s1
InChIKeyXBTAQCWJWQYZSH-LLVKDONJSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921
2-[[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 42913912
N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
CID 55432424
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594865
methyl (2S)-2-[[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylpentanoate
CID 8551951
N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 78787930
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide
CID 60514650
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide (CID 41230794) is N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide is C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is XBTAQCWJWQYZSH-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19Cl2F2N3O2/c1-11(14-5-3-12(22)7-17(14)23)24-18(27)9-26(2)10-19(28)25-13-4-6-15(20)16(21)8-13/h3-8,11H,9-10H2,1-2H3,(H,24,27)(H,25,28)/t11-/m1/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 430.28 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 41230794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).