N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide

C19H18Cl2F3N3O2 — CID 38354927

IUPACN-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H18Cl2F3N3O2/c1-27(9-8-17(28)26-16-5-3-2-4-15(16)21)11-18(29)25-12-6-7-14(20)13(10-12)19(22,23)24/h2-7,10H,8-9,11H2,1H3,(H,25,29)(H,26,28)
InChIKeyGOOQONLSKHOZBB-UHFFFAOYSA-N
MW448.27 g/mol
LogP4.91
Rot. Bonds7

About N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide

N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide (PubChem CID 38354927) has the molecular formula C19H18Cl2F3N3O2 and a molecular weight of 448.27 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
PubChem CID38354927
Molecular FormulaC19H18Cl2F3N3O2
Molecular Weight448.27 g/mol
Exact Mass447.07
IUPAC NameN-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H18Cl2F3N3O2/c1-27(9-8-17(28)26-16-5-3-2-4-15(16)21)11-18(29)25-12-6-7-14(20)13(10-12)19(22,23)24/h2-7,10H,8-9,11H2,1H3,(H,25,29)(H,26,28)
InChIKeyGOOQONLSKHOZBB-UHFFFAOYSA-N
XLogP4.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.27
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27217285
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
3-[acetyl(propyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 113115089
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704
2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 26528259
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
CID 18078774
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide (CID 38354927) is N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide is CN(CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide?
The InChIKey is GOOQONLSKHOZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F3N3O2/c1-27(9-8-17(28)26-16-5-3-2-4-15(16)21)11-18(29)25-12-6-7-14(20)13(10-12)19(22,23)24/h2-7,10H,8-9,11H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide?
N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide has a molecular weight of 448.27 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 38354927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).