2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride

C15H10Cl3NO3 — CID 18546385

IUPAC2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride
SMILESCOc1cc(Cl)c(N(C(=O)C(=O)Cl)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO3/c1-22-10-7-11(16)13(12(17)8-10)19(15(21)14(18)20)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyVAHFOBFCCULFDB-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.43
Rot. Bonds4

About 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride

2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride (PubChem CID 18546385) has the molecular formula C15H10Cl3NO3 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride
PubChem CID18546385
Molecular FormulaC15H10Cl3NO3
Molecular Weight358.61 g/mol
Exact Mass356.97
IUPAC Name2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride
SMILESCOc1cc(Cl)c(N(C(=O)C(=O)Cl)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO3/c1-22-10-7-11(16)13(12(17)8-10)19(15(21)14(18)20)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyVAHFOBFCCULFDB-UHFFFAOYSA-N
XLogP4.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)benzamide
CID 154952087
(4-methoxy-2,6-dimethylpyridin-1-ium-1-yl) N,N-diphenylcarbamate
CID 4101476
N-(2,4-dimethoxyphenyl)-N-phenylacetamide
CID 101328675
N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 86860335
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
N-(2,6-dichlorophenyl)-N-phenylbenzamide
CID 14251439
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid
CID 10154849
2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
CID 14389786
(4-methoxy-2,6-dimethylpyridin-1-ium-1-yl) N,N-diphenylcarbamate;tetraphenylboranuide
CID 126476762
N-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
CID 3376668
methyl 5-amino-3-chloro-2-(N-methylanilino)benzoate
CID 107192500

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride?
The IUPAC name of 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride (CID 18546385) is 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride.
What is the SMILES notation for 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride?
The canonical SMILES for 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride is COc1cc(Cl)c(N(C(=O)C(=O)Cl)c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride?
The InChIKey is VAHFOBFCCULFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO3/c1-22-10-7-11(16)13(12(17)8-10)19(15(21)14(18)20)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride?
2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride has a molecular weight of 358.61 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,6-dichloro-4-methoxyphenyl)anilino)-2-oxoacetyl chloride is sourced from PubChem (CID 18546385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).