N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide

C19H19Cl2FN4O3 — CID 35412970

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H19Cl2FN4O3/c1-26(11-17(27)25-14-6-7-15(20)16(21)8-14)18(28)10-24-19(29)23-9-12-2-4-13(22)5-3-12/h2-8H,9-11H2,1H3,(H,25,27)(H2,23,24,29)
InChIKeyYAHNJDLKXFBKEA-UHFFFAOYSA-N
MW441.29 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide (PubChem CID 35412970) has the molecular formula C19H19Cl2FN4O3 and a molecular weight of 441.29 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
PubChem CID35412970
Molecular FormulaC19H19Cl2FN4O3
Molecular Weight441.29 g/mol
Exact Mass440.08
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H19Cl2FN4O3/c1-26(11-17(27)25-14-6-7-15(20)16(21)8-14)18(28)10-24-19(29)23-9-12-2-4-13(22)5-3-12/h2-8H,9-11H2,1H3,(H,25,27)(H2,23,24,29)
InChIKeyYAHNJDLKXFBKEA-UHFFFAOYSA-N
XLogP3.03
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 78787930
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921
N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55347351
N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
CID 55432424
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
CID 38045516
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
CID 60599190
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 29359193
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide (CID 35412970) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide?
The InChIKey is YAHNJDLKXFBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN4O3/c1-26(11-17(27)25-14-6-7-15(20)16(21)8-14)18(28)10-24-19(29)23-9-12-2-4-13(22)5-3-12/h2-8H,9-11H2,1H3,(H,25,27)(H2,23,24,29).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide has a molecular weight of 441.29 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide is sourced from PubChem (CID 35412970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).