N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide

C19H20Cl2FN3O2 — CID 78787930

IUPACN-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H20Cl2FN3O2/c1-24(11-18(26)23-15-7-8-16(20)17(21)9-15)12-19(27)25(2)10-13-3-5-14(22)6-4-13/h3-9H,10-12H2,1-2H3,(H,23,26)
InChIKeyXANWDRYKDSOONV-UHFFFAOYSA-N
MW412.29 g/mol
LogP3.66
Rot. Bonds7

About N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide

N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 78787930) has the molecular formula C19H20Cl2FN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID78787930
Molecular FormulaC19H20Cl2FN3O2
Molecular Weight412.29 g/mol
Exact Mass411.09
IUPAC NameN-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H20Cl2FN3O2/c1-24(11-18(26)23-15-7-8-16(20)17(21)9-15)12-19(27)25(2)10-13-3-5-14(22)6-4-13/h3-9H,10-12H2,1-2H3,(H,23,26)
InChIKeyXANWDRYKDSOONV-UHFFFAOYSA-N
XLogP3.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
CID 35412970
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553110
N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 41230794
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9043158
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 9198233
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide (CID 78787930) is N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is XANWDRYKDSOONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O2/c1-24(11-18(26)23-15-7-8-16(20)17(21)9-15)12-19(27)25(2)10-13-3-5-14(22)6-4-13/h3-9H,10-12H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 412.29 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 78787930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).