2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide

C13H11Cl2NO2 — CID 39384213

IUPAC2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2NO2/c14-8-13(17)16(9-12-5-2-6-18-12)11-4-1-3-10(15)7-11/h1-7H,8-9H2
InChIKeyIQSOAFZYKOVDGZ-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide

2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 39384213) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID39384213
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2NO2/c14-8-13(17)16(9-12-5-2-6-18-12)11-4-1-3-10(15)7-11/h1-7H,8-9H2
InChIKeyIQSOAFZYKOVDGZ-UHFFFAOYSA-N
XLogP3.70
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide (CID 39384213) is 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide is O=C(CCl)N(Cc1ccco1)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IQSOAFZYKOVDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c14-8-13(17)16(9-12-5-2-6-18-12)11-4-1-3-10(15)7-11/h1-7H,8-9H2.
What are the key properties of 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide?
2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 284.14 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chlorophenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 39384213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).