2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide

C11H11Cl4NO3 — CID 143179500

IUPAC2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CCl)ccc1Cl.O=C(Cl)CCl
InChIInChI=1S/C9H9Cl2NO2.C2H2Cl2O/c1-14-8-4-6(2-3-7(8)11)12-9(13)5-10;3-1-2(4)5/h2-4H,5H2,1H3,(H,12,13);1H2
InChIKeyJOCRSULZQJIAOK-UHFFFAOYSA-N
MW347.03 g/mol
LogP3.52
Rot. Bonds4

About 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide

2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide (PubChem CID 143179500) has the molecular formula C11H11Cl4NO3 and a molecular weight of 347.03 g/mol. Its IUPAC name is 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
PubChem CID143179500
Molecular FormulaC11H11Cl4NO3
Molecular Weight347.03 g/mol
Exact Mass344.95
IUPAC Name2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CCl)ccc1Cl.O=C(Cl)CCl
InChIInChI=1S/C9H9Cl2NO2.C2H2Cl2O/c1-14-8-4-6(2-3-7(8)11)12-9(13)5-10;3-1-2(4)5/h2-4H,5H2,1H3,(H,12,13);1H2
InChIKeyJOCRSULZQJIAOK-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.03
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
CID 107623363
2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide
CID 166414805
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
N-(4-chloro-3-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 107622734
N'-(4-chloro-3-methoxyphenyl)-N-(cyanomethyl)oxamide
CID 107621880
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042527
5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 107622131
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide?
The IUPAC name of 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide (CID 143179500) is 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide?
The canonical SMILES for 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide is COc1cc(NC(=O)CCl)ccc1Cl.O=C(Cl)CCl.
What is the InChIKey of 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide?
The InChIKey is JOCRSULZQJIAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2.C2H2Cl2O/c1-14-8-4-6(2-3-7(8)11)12-9(13)5-10;3-1-2(4)5/h2-4H,5H2,1H3,(H,12,13);1H2.
What are the key properties of 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide?
2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide has a molecular weight of 347.03 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide is sourced from PubChem (CID 143179500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).