2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide

C10H8Cl4N2O2 — CID 840731

IUPAC2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
SMILESO=C(Nc1cccc(NC(=O)C(Cl)Cl)c1)C(Cl)Cl
InChIInChI=1S/C10H8Cl4N2O2/c11-7(12)9(17)15-5-2-1-3-6(4-5)16-10(18)8(13)14/h1-4,7-8H,(H,15,17)(H,16,18)
InChIKeyBVPVLZIQAGQGFP-UHFFFAOYSA-N
MW330.00 g/mol
LogP3.17
Rot. Bonds4

About 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide

2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide (PubChem CID 840731) has the molecular formula C10H8Cl4N2O2 and a molecular weight of 330.00 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
PubChem CID840731
Molecular FormulaC10H8Cl4N2O2
Molecular Weight330.00 g/mol
Exact Mass327.93
IUPAC Name2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
SMILESO=C(Nc1cccc(NC(=O)C(Cl)Cl)c1)C(Cl)Cl
InChIInChI=1S/C10H8Cl4N2O2/c11-7(12)9(17)15-5-2-1-3-6(4-5)16-10(18)8(13)14/h1-4,7-8H,(H,15,17)(H,16,18)
InChIKeyBVPVLZIQAGQGFP-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.00
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]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

2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide
CID 71463068
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
2,2-dichloro-N-[3-[3-oxo-3-(2,3,4,5,6-pentamethylphenyl)propyl]phenyl]acetamide
CID 2803590
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868
2-bromo-N-[3-(2-bromopropanoylcarbamoylamino)phenyl]propanamide
CID 44592892
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide
CID 21100333
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide (CID 840731) is 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide is O=C(Nc1cccc(NC(=O)C(Cl)Cl)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide?
The InChIKey is BVPVLZIQAGQGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl4N2O2/c11-7(12)9(17)15-5-2-1-3-6(4-5)16-10(18)8(13)14/h1-4,7-8H,(H,15,17)(H,16,18).
What are the key properties of 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide?
2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide has a molecular weight of 330.00 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 840731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).