2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide

C7H7Cl2NO2 — CID 131182868

IUPAC2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(Cl)o1
InChIInChI=1S/C7H7Cl2NO2/c8-3-7(11)10-4-5-1-2-6(9)12-5/h1-2H,3-4H2,(H,10,11)
InChIKeyOYYPSVAWICHEFI-UHFFFAOYSA-N
MW208.04 g/mol
LogP1.79
Rot. Bonds3

About 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide

2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide (PubChem CID 131182868) has the molecular formula C7H7Cl2NO2 and a molecular weight of 208.04 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide
PubChem CID131182868
Molecular FormulaC7H7Cl2NO2
Molecular Weight208.04 g/mol
Exact Mass206.99
IUPAC Name2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(Cl)o1
InChIInChI=1S/C7H7Cl2NO2/c8-3-7(11)10-4-5-1-2-6(9)12-5/h1-2H,3-4H2,(H,10,11)
InChIKeyOYYPSVAWICHEFI-UHFFFAOYSA-N
XLogP1.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110732020
1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea
CID 110748926
1-[(5-chlorofuran-2-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110748928
N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110731979
2-[(5-chlorofuran-2-yl)methylamino]acetic acid
CID 60769646
4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63308436
1-(5-chlorofuran-2-yl)propan-2-one
CID 82652120
N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110745205
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
ethyl 4-[(5-chlorofuran-2-yl)methylamino]butanoate
CID 60696105
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide (CID 131182868) is 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide is O=C(CCl)NCc1ccc(Cl)o1.
What is the InChIKey of 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide?
The InChIKey is OYYPSVAWICHEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2/c8-3-7(11)10-4-5-1-2-6(9)12-5/h1-2H,3-4H2,(H,10,11).
What are the key properties of 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide?
2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide has a molecular weight of 208.04 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 131182868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).