4-(2-amino-3,5-dichlorophenyl)but-3-enamide

C10H10Cl2N2O — CID 170797950

IUPAC4-(2-amino-3,5-dichlorophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C10H10Cl2N2O/c11-7-4-6(2-1-3-9(13)15)10(14)8(12)5-7/h1-2,4-5H,3,14H2,(H2,13,15)
InChIKeyZPVSEZGOJSZOBD-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.46
Rot. Bonds3

About 4-(2-amino-3,5-dichlorophenyl)but-3-enamide

4-(2-amino-3,5-dichlorophenyl)but-3-enamide (PubChem CID 170797950) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 4-(2-amino-3,5-dichlorophenyl)but-3-enamide.

Molecular Properties

Compound Name4-(2-amino-3,5-dichlorophenyl)but-3-enamide
PubChem CID170797950
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name4-(2-amino-3,5-dichlorophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C10H10Cl2N2O/c11-7-4-6(2-1-3-9(13)15)10(14)8(12)5-7/h1-2,4-5H,3,14H2,(H2,13,15)
InChIKeyZPVSEZGOJSZOBD-UHFFFAOYSA-N
XLogP2.46
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2-amino-3,5-dichlorophenyl)but-3-enamide 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

4-(2-amino-3,5-dichlorophenyl)but-3-enoic acid
CID 170483608
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-(2-amino-4-chlorophenyl)but-3-enamide
CID 170797583
4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide
CID 170797647
4-(2-chloro-5-hydroxyphenyl)but-3-enamide
CID 170797475
4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
CID 170797705
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
CID 170797729
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575
4-(3,5-dichloro-2-methylphenyl)but-3-enoic acid
CID 70041410
4-(3-chloro-4-methoxyphenyl)but-3-enamide
CID 170797760
4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide
CID 170799023
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,5-dichlorophenyl)but-3-enamide?
The IUPAC name of 4-(2-amino-3,5-dichlorophenyl)but-3-enamide (CID 170797950) is 4-(2-amino-3,5-dichlorophenyl)but-3-enamide.
What is the SMILES notation for 4-(2-amino-3,5-dichlorophenyl)but-3-enamide?
The canonical SMILES for 4-(2-amino-3,5-dichlorophenyl)but-3-enamide is NC(=O)CC=Cc1cc(Cl)cc(Cl)c1N.
What is the InChIKey of 4-(2-amino-3,5-dichlorophenyl)but-3-enamide?
The InChIKey is ZPVSEZGOJSZOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-7-4-6(2-1-3-9(13)15)10(14)8(12)5-7/h1-2,4-5H,3,14H2,(H2,13,15).
What are the key properties of 4-(2-amino-3,5-dichlorophenyl)but-3-enamide?
4-(2-amino-3,5-dichlorophenyl)but-3-enamide has a molecular weight of 245.11 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,5-dichlorophenyl)but-3-enamide is sourced from PubChem (CID 170797950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).