2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide

C8H8ClNO3 — CID 66568971

IUPAC2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide
SMILESO=C(CCl)NCC(=O)c1ccco1
InChIInChI=1S/C8H8ClNO3/c9-4-8(12)10-5-6(11)7-2-1-3-13-7/h1-3H,4-5H2,(H,10,12)
InChIKeyDIUZEARMINGCTA-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.82
Rot. Bonds4

About 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide

2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide (PubChem CID 66568971) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide
PubChem CID66568971
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide
SMILESO=C(CCl)NCC(=O)c1ccco1
InChIInChI=1S/C8H8ClNO3/c9-4-8(12)10-5-6(11)7-2-1-3-13-7/h1-3H,4-5H2,(H,10,12)
InChIKeyDIUZEARMINGCTA-UHFFFAOYSA-N
XLogP0.82
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381
1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589590
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[2-(furan-2-yl)-2-oxoethyl]-1H-indole-7-carboxamide
CID 86788584
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 82120675
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide (CID 66568971) is 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide is O=C(CCl)NCC(=O)c1ccco1.
What is the InChIKey of 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide?
The InChIKey is DIUZEARMINGCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c9-4-8(12)10-5-6(11)7-2-1-3-13-7/h1-3H,4-5H2,(H,10,12).
What are the key properties of 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide?
2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide has a molecular weight of 201.61 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 66568971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).