N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

C19H18Cl2N4O2 — CID 55351803

IUPACN-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N4O2/c1-12(19(27)24-17-6-4-3-5-13(17)10-22)25(2)11-18(26)23-14-7-8-15(20)16(21)9-14/h3-9,12H,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJVHSTBCRMPTISI-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.76
Rot. Bonds6

About N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 55351803) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID55351803
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC NameN-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N4O2/c1-12(19(27)24-17-6-4-3-5-13(17)10-22)25(2)11-18(26)23-14-7-8-15(20)16(21)9-14/h3-9,12H,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJVHSTBCRMPTISI-UHFFFAOYSA-N
XLogP3.76
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(2-cyanophenyl)propanamide
CID 46561910
N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801790
(2S)-N-(2-chloro-5-nitrophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 41093919
N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351675
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665
(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 30926146
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
N-(5-chloro-2-methoxyphenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801808
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787931

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (CID 55351803) is N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is CC(C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is JVHSTBCRMPTISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-12(19(27)24-17-6-4-3-5-13(17)10-22)25(2)11-18(26)23-14-7-8-15(20)16(21)9-14/h3-9,12H,11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 405.29 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 55351803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).