2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide

C12H12Cl4N2O2 — CID 71443799

IUPAC2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C12H12Cl4N2O2/c1-6-2-4-7(5-3-6)10(17-11(19)8(13)14)18-12(20)9(15)16/h2-5,8-10H,1H3,(H,17,19)(H,18,20)
InChIKeyWQKBIZDIQPTGSE-UHFFFAOYSA-N
MW358.05 g/mol
LogP2.83
Rot. Bonds5

About 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide

2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide (PubChem CID 71443799) has the molecular formula C12H12Cl4N2O2 and a molecular weight of 358.05 g/mol. Its IUPAC name is 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide
PubChem CID71443799
Molecular FormulaC12H12Cl4N2O2
Molecular Weight358.05 g/mol
Exact Mass355.97
IUPAC Name2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C12H12Cl4N2O2/c1-6-2-4-7(5-3-6)10(17-11(19)8(13)14)18-12(20)9(15)16/h2-5,8-10H,1H3,(H,17,19)(H,18,20)
InChIKeyWQKBIZDIQPTGSE-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.05
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide
CID 110316745
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2,3-bis(4-methylphenyl)propanehydrazide
CID 70580652
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
N,3-dimethyl-2-(4-methylphenyl)butanamide
CID 118371719
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 141298462
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide
CID 4120076
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide (CID 71443799) is 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide is Cc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide?
The InChIKey is WQKBIZDIQPTGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl4N2O2/c1-6-2-4-7(5-3-6)10(17-11(19)8(13)14)18-12(20)9(15)16/h2-5,8-10H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide?
2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide has a molecular weight of 358.05 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 71443799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).