2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

C19H18ClF4N3O2 — CID 60509025

IUPAC2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H18ClF4N3O2/c1-27(11-18(29)26-15-4-2-3-13(20)7-15)10-17(28)25-9-12-5-6-14(21)8-16(12)19(22,23)24/h2-8H,9-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyKLXFMBTUURGOOY-UHFFFAOYSA-N
MW431.82 g/mol
LogP3.68
Rot. Bonds7

About 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 60509025) has the molecular formula C19H18ClF4N3O2 and a molecular weight of 431.82 g/mol. Its IUPAC name is 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID60509025
Molecular FormulaC19H18ClF4N3O2
Molecular Weight431.82 g/mol
Exact Mass431.10
IUPAC Name2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H18ClF4N3O2/c1-27(11-18(29)26-15-4-2-3-13(20)7-15)10-17(28)25-9-12-5-6-14(21)8-16(12)19(22,23)24/h2-8H,9-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyKLXFMBTUURGOOY-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.82
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 46474679
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-[3-[[[N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide
CID 111889421
N-[2-(4-chlorophenyl)ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250787
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-chlorophenyl)-2-(N-ethyl-3-fluoroanilino)acetamide
CID 52686374
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38622489

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (CID 60509025) is 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is CN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is KLXFMBTUURGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF4N3O2/c1-27(11-18(29)26-15-4-2-3-13(20)7-15)10-17(28)25-9-12-5-6-14(21)8-16(12)19(22,23)24/h2-8H,9-11H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 431.82 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 60509025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).