N-[2-(3,5-dichloroanilino)ethyl]acetamide

C10H12Cl2N2O — CID 82539545

IUPACN-[2-(3,5-dichloroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2O/c1-7(15)13-2-3-14-10-5-8(11)4-9(12)6-10/h4-6,14H,2-3H2,1H3,(H,13,15)
InChIKeyCKXNNSXOEJBVOK-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(3,5-dichloroanilino)ethyl]acetamide

N-[2-(3,5-dichloroanilino)ethyl]acetamide (PubChem CID 82539545) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is N-[2-(3,5-dichloroanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloroanilino)ethyl]acetamide
PubChem CID82539545
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC NameN-[2-(3,5-dichloroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2N2O/c1-7(15)13-2-3-14-10-5-8(11)4-9(12)6-10/h4-6,14H,2-3H2,1H3,(H,13,15)
InChIKeyCKXNNSXOEJBVOK-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3,5-dichloroanilino)ethyl]acetamide 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

N-[2-(3-bromo-5-methylanilino)ethyl]acetamide
CID 107583175
N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
CID 107529850
N-[2-(3-amino-5-methylanilino)ethyl]acetamide
CID 59089860
N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
N-[4-(3,5-dichlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882625
N-[2-(3-tert-butylanilino)ethyl]acetamide
CID 59090695
4-(2-acetamidoethylamino)benzoic acid
CID 62231212
N-[2-[3-nitro-5-(propylamino)anilino]ethyl]acetamide
CID 80788354
N-[2-[(3-chlorophenyl)carbamothioylamino]ethyl]acetamide
CID 3872004
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloroanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3,5-dichloroanilino)ethyl]acetamide (CID 82539545) is N-[2-(3,5-dichloroanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,5-dichloroanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3,5-dichloroanilino)ethyl]acetamide is CC(=O)NCCNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(3,5-dichloroanilino)ethyl]acetamide?
The InChIKey is CKXNNSXOEJBVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-7(15)13-2-3-14-10-5-8(11)4-9(12)6-10/h4-6,14H,2-3H2,1H3,(H,13,15).
What are the key properties of N-[2-(3,5-dichloroanilino)ethyl]acetamide?
N-[2-(3,5-dichloroanilino)ethyl]acetamide has a molecular weight of 247.12 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloroanilino)ethyl]acetamide is sourced from PubChem (CID 82539545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).