2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide

C10H9Cl3FNO2 — CID 161093004

IUPAC2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
SMILESO=C(CCl)Nc1ccc(F)cc1.O=C(Cl)CCl
InChIInChI=1S/C8H7ClFNO.C2H2Cl2O/c9-5-8(12)11-7-3-1-6(10)2-4-7;3-1-2(4)5/h1-4H,5H2,(H,11,12);1H2
InChIKeyUHKSTDVRGPKHNE-UHFFFAOYSA-N
MW300.54 g/mol
LogP2.99
Rot. Bonds3

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

2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide (PubChem CID 161093004) has the molecular formula C10H9Cl3FNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
PubChem CID161093004
Molecular FormulaC10H9Cl3FNO2
Molecular Weight300.54 g/mol
Exact Mass298.97
IUPAC Name2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
SMILESO=C(CCl)Nc1ccc(F)cc1.O=C(Cl)CCl
InChIInChI=1S/C8H7ClFNO.C2H2Cl2O/c9-5-8(12)11-7-3-1-6(10)2-4-7;3-1-2(4)5/h1-4H,5H2,(H,11,12);1H2
InChIKeyUHKSTDVRGPKHNE-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3410124
N'-(4-fluorophenyl)propanediamide
CID 18174009
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954855
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-chloro-N-[4-(3-fluorophenoxy)phenyl]acetamide
CID 39379903
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide
CID 166409220

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide (CID 161093004) is 2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide is O=C(CCl)Nc1ccc(F)cc1.O=C(Cl)CCl.
What is the InChIKey of 2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide?
The InChIKey is UHKSTDVRGPKHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO.C2H2Cl2O/c9-5-8(12)11-7-3-1-6(10)2-4-7;3-1-2(4)5/h1-4H,5H2,(H,11,12);1H2.
What are the key properties of 2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide?
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide has a molecular weight of 300.54 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 161093004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).