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

C11H10Cl4N2O2 — CID 4120076

IUPAC2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)C(Cl)Cl)c(NC(=O)C(Cl)Cl)c1
InChIInChI=1S/C11H10Cl4N2O2/c1-5-2-3-6(16-10(18)8(12)13)7(4-5)17-11(19)9(14)15/h2-4,8-9H,1H3,(H,16,18)(H,17,19)
InChIKeyIWGSRRLNRBLWBV-UHFFFAOYSA-N
MW344.03 g/mol
LogP3.48
Rot. Bonds4

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

2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide (PubChem CID 4120076) has the molecular formula C11H10Cl4N2O2 and a molecular weight of 344.03 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide
PubChem CID4120076
Molecular FormulaC11H10Cl4N2O2
Molecular Weight344.03 g/mol
Exact Mass341.95
IUPAC Name2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)C(Cl)Cl)c(NC(=O)C(Cl)Cl)c1
InChIInChI=1S/C11H10Cl4N2O2/c1-5-2-3-6(16-10(18)8(12)13)7(4-5)17-11(19)9(14)15/h2-4,8-9H,1H3,(H,16,18)(H,17,19)
InChIKeyIWGSRRLNRBLWBV-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.03
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-dichloroacetyl)amino]-5-methylbenzoic acid
CID 110465836
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
N-[4-methyl-2-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 141023535
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
N-(2-acetamido-5-methylphenyl)-2-methoxy-2-phenylacetamide
CID 75475764
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide (CID 4120076) is 2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide is Cc1ccc(NC(=O)C(Cl)Cl)c(NC(=O)C(Cl)Cl)c1.
What is the InChIKey of 2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide?
The InChIKey is IWGSRRLNRBLWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl4N2O2/c1-5-2-3-6(16-10(18)8(12)13)7(4-5)17-11(19)9(14)15/h2-4,8-9H,1H3,(H,16,18)(H,17,19).
What are the key properties of 2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide?
2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide has a molecular weight of 344.03 g/mol, XLogP of 3.48, 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-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 4120076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).