2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline

C9H7Cl4N — CID 79167531

IUPAC2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline
SMILESClC=C(Cl)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl4N/c10-4-6(11)5-14-8-3-1-2-7(12)9(8)13/h1-4,14H,5H2
InChIKeyPAMUJMHWSOPRPJ-UHFFFAOYSA-N
MW270.97 g/mol
LogP4.72
Rot. Bonds3

About 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline

2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline (PubChem CID 79167531) has the molecular formula C9H7Cl4N and a molecular weight of 270.97 g/mol. Its IUPAC name is 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline.

Molecular Properties

Compound Name2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline
PubChem CID79167531
Molecular FormulaC9H7Cl4N
Molecular Weight270.97 g/mol
Exact Mass268.93
IUPAC Name2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline
SMILESClC=C(Cl)CNc1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl4N/c10-4-6(11)5-14-8-3-1-2-7(12)9(8)13/h1-4,14H,5H2
InChIKeyPAMUJMHWSOPRPJ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.97
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline 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

2,3-dichloro-N-(2-phenylprop-2-enyl)aniline
CID 115328098
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone
CID 110823624
N-(2,3-dichlorophenyl)hydroxylamine
CID 18942828
N-(5-chloro-2-pyridinyl)-2-(2,3-dichloroanilino)acetamide
CID 78821308
2-(2,3-dichloroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28774942
3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437425
2,3-dichloro-N-(2,2-difluoroethyl)aniline
CID 60921632
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline?
The IUPAC name of 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline (CID 79167531) is 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline.
What is the SMILES notation for 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline?
The canonical SMILES for 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline is ClC=C(Cl)CNc1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline?
The InChIKey is PAMUJMHWSOPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl4N/c10-4-6(11)5-14-8-3-1-2-7(12)9(8)13/h1-4,14H,5H2.
What are the key properties of 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline?
2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline has a molecular weight of 270.97 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline is sourced from PubChem (CID 79167531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).