2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide

C11H13Cl2N3O2 — CID 43084686

IUPAC2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-6(10(17)16-11(18)14-2)15-7-3-4-8(12)9(13)5-7/h3-6,15H,1-2H3,(H2,14,16,17,18)
InChIKeyZGHYGRNNHXSNJJ-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.25
Rot. Bonds3

About 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide

2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 43084686) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
PubChem CID43084686
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-6(10(17)16-11(18)14-2)15-7-3-4-8(12)9(13)5-7/h3-6,15H,1-2H3,(H2,14,16,17,18)
InChIKeyZGHYGRNNHXSNJJ-UHFFFAOYSA-N
XLogP2.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3,4-dichloroanilino)propanehydrazide
CID 946902
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 51178190
methyl 2-[2-(3,4-dichloroanilino)propanoylamino]propanoate
CID 18380258
(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
CID 31268630
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
2-(dibenzofuran-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 17430257
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43385595
(2S)-N-(methylcarbamoyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 35644241
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
CID 51281599

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide (CID 43084686) is 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is ZGHYGRNNHXSNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-6(10(17)16-11(18)14-2)15-7-3-4-8(12)9(13)5-7/h3-6,15H,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide?
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 290.15 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43084686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).