2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide

C22H16Cl4N2O2 — CID 69077883

IUPAC2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide
SMILESO=C(c1ccc(NC(=O)C(Cl)NCc2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl4N2O2/c23-17-4-2-1-3-15(17)12-27-21(26)22(30)28-16-8-5-13(6-9-16)20(29)14-7-10-18(24)19(25)11-14/h1-11,21,27H,12H2,(H,28,30)
InChIKeyQJOZYGAOWFSXQY-UHFFFAOYSA-N
MW482.19 g/mol
LogP6.17
Rot. Bonds7

About 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide

2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide (PubChem CID 69077883) has the molecular formula C22H16Cl4N2O2 and a molecular weight of 482.19 g/mol. Its IUPAC name is 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide
PubChem CID69077883
Molecular FormulaC22H16Cl4N2O2
Molecular Weight482.19 g/mol
Exact Mass480.00
IUPAC Name2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide
SMILESO=C(c1ccc(NC(=O)C(Cl)NCc2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl4N2O2/c23-17-4-2-1-3-15(17)12-27-21(26)22(30)28-16-8-5-13(6-9-16)20(29)14-7-10-18(24)19(25)11-14/h1-11,21,27H,12H2,(H,28,30)
InChIKeyQJOZYGAOWFSXQY-UHFFFAOYSA-N
XLogP6.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.19
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)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

N-(4-benzoylphenyl)-2,3-dichloropropanamide
CID 57282831
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide
CID 98450152
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid
CID 14259182
methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
methyl 4-[[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108962747
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832397
N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide
CID 17179121

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide?
The IUPAC name of 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide (CID 69077883) is 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide is O=C(c1ccc(NC(=O)C(Cl)NCc2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide?
The InChIKey is QJOZYGAOWFSXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl4N2O2/c23-17-4-2-1-3-15(17)12-27-21(26)22(30)28-16-8-5-13(6-9-16)20(29)14-7-10-18(24)19(25)11-14/h1-11,21,27H,12H2,(H,28,30).
What are the key properties of 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide?
2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide has a molecular weight of 482.19 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[(2-chlorophenyl)methylamino]-N-[4-(3,4-dichlorobenzoyl)phenyl]acetamide is sourced from PubChem (CID 69077883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).