N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

C18H19ClFN3O2 — CID 9253245

IUPACN-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19ClFN3O2/c1-23(12-18(25)22-16-8-6-15(20)7-9-16)11-17(24)21-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyWPYQISRHEADEIN-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.67
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9253245) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9253245
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19ClFN3O2/c1-23(12-18(25)22-16-8-6-15(20)7-9-16)11-17(24)21-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyWPYQISRHEADEIN-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 2699169
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8779934
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (CID 9253245) is N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is WPYQISRHEADEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-23(12-18(25)22-16-8-6-15(20)7-9-16)11-17(24)21-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 363.82 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9253245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).