3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide

C19H21Cl2N3O2 — CID 119682920

IUPAC3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
SMILESCC(C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)C(N)c1ccccc1
InChIInChI=1S/C19H21Cl2N3O2/c1-12(18(22)13-6-4-3-5-7-13)19(26)24(2)11-17(25)23-14-8-9-15(20)16(21)10-14/h3-10,12,18H,11,22H2,1-2H3,(H,23,25)
InChIKeyKHZSIMXMKBMWIW-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.73
Rot. Bonds6

About 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide

3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide (PubChem CID 119682920) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
PubChem CID119682920
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
SMILESCC(C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)C(N)c1ccccc1
InChIInChI=1S/C19H21Cl2N3O2/c1-12(18(22)13-6-4-3-5-7-13)19(26)24(2)11-17(25)23-14-8-9-15(20)16(21)10-14/h3-10,12,18H,11,22H2,1-2H3,(H,23,25)
InChIKeyKHZSIMXMKBMWIW-UHFFFAOYSA-N
XLogP3.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119684102
2-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119267761
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-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide
CID 55379421
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839
(2S)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 24544880

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide (CID 119682920) is 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide is CC(C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is KHZSIMXMKBMWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-12(18(22)13-6-4-3-5-7-13)19(26)24(2)11-17(25)23-14-8-9-15(20)16(21)10-14/h3-10,12,18H,11,22H2,1-2H3,(H,23,25).
What are the key properties of 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide?
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 394.30 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 119682920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).