N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide

C20H21Cl2N3O3 — CID 55379421

IUPACN-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1
InChIInChI=1S/C20H21Cl2N3O3/c1-13(23-20(28)14-6-4-3-5-7-14)10-19(27)25(2)12-18(26)24-15-8-9-16(21)17(22)11-15/h3-9,11,13H,10,12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyLIGPDXINTVGIRN-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.60
Rot. Bonds7

About N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide

N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide (PubChem CID 55379421) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide
PubChem CID55379421
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC NameN-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1
InChIInChI=1S/C20H21Cl2N3O3/c1-13(23-20(28)14-6-4-3-5-7-14)10-19(27)25(2)12-18(26)24-15-8-9-16(21)17(22)11-15/h3-9,11,13H,10,12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyLIGPDXINTVGIRN-UHFFFAOYSA-N
XLogP3.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51271024
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39758297
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119682920
N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348587
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55347351
bis(2-chloro-N-phenyl-N-propan-2-ylacetamide);bis(N-(3,4-dichlorophenyl)propanamide)
CID 173369864
N-[2-[[(3S)-3-benzamidobutanoyl]amino]ethyl]-3,4-dichlorobenzamide
CID 38993001
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 8921583

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide (CID 55379421) is N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide?
The InChIKey is LIGPDXINTVGIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-13(23-20(28)14-6-4-3-5-7-14)10-19(27)25(2)12-18(26)24-15-8-9-16(21)17(22)11-15/h3-9,11,13H,10,12H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide?
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide has a molecular weight of 422.31 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55379421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).