2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide

C14H18Cl2N4O3 — CID 4824924

IUPAC2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N4O3/c1-8(13(22)19-14(23)17-2)20(3)7-11(21)18-12-9(15)5-4-6-10(12)16/h4-6,8H,7H2,1-3H3,(H,18,21)(H2,17,19,22,23)
InChIKeyIOFDZWASIBYWFW-UHFFFAOYSA-N
MW361.23 g/mol
LogP1.71
Rot. Bonds5

About 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 4824924) has the molecular formula C14H18Cl2N4O3 and a molecular weight of 361.23 g/mol. Its IUPAC name is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID4824924
Molecular FormulaC14H18Cl2N4O3
Molecular Weight361.23 g/mol
Exact Mass360.08
IUPAC Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N4O3/c1-8(13(22)19-14(23)17-2)20(3)7-11(21)18-12-9(15)5-4-6-10(12)16/h4-6,8H,7H2,1-3H3,(H,18,21)(H2,17,19,22,23)
InChIKeyIOFDZWASIBYWFW-UHFFFAOYSA-N
XLogP1.71
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 95158936
N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351270
(2R)-N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 9105046
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9198346
N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46562604
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 51171679
N-(2,6-dichlorophenyl)-2-[[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 9287009
(2S)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9223025
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide (CID 4824924) is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is IOFDZWASIBYWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4O3/c1-8(13(22)19-14(23)17-2)20(3)7-11(21)18-12-9(15)5-4-6-10(12)16/h4-6,8H,7H2,1-3H3,(H,18,21)(H2,17,19,22,23).
What are the key properties of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide?
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 361.23 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 4824924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).