2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide

C10H13ClFNO2 — CID 167984402

IUPAC2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide
SMILESCCN(Cc1occc1C)C(=O)C(F)Cl
InChIInChI=1S/C10H13ClFNO2/c1-3-13(10(14)9(11)12)6-8-7(2)4-5-15-8/h4-5,9H,3,6H2,1-2H3
InChIKeyRCHWZQCENSKZJS-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.47
Rot. Bonds4

About 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide

2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide (PubChem CID 167984402) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide
PubChem CID167984402
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide
SMILESCCN(Cc1occc1C)C(=O)C(F)Cl
InChIInChI=1S/C10H13ClFNO2/c1-3-13(10(14)9(11)12)6-8-7(2)4-5-15-8/h4-5,9H,3,6H2,1-2H3
InChIKeyRCHWZQCENSKZJS-UHFFFAOYSA-N
XLogP2.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[(3-methylfuran-2-yl)methyl]benzamide
CID 166309904
2-ethyl-3-methylfuran;methane
CID 160795170
1-[(3-methylfuran-2-yl)methyl-propan-2-ylamino]propan-2-ol
CID 115882816
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide
CID 103699283
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
3-methyl-1-(3-methylfuran-2-yl)pentan-1-one
CID 104799488
dimethyl 2-[(3-methylfuran-2-yl)methyl]propanedioate
CID 15324934
2-[[ethyl(2-methylbutyl)amino]methyl]furan-3-carboxylic acid
CID 79476778
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylfuran-2-carboxamide
CID 134041307

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide (CID 167984402) is 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide is CCN(Cc1occc1C)C(=O)C(F)Cl.
What is the InChIKey of 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide?
The InChIKey is RCHWZQCENSKZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-3-13(10(14)9(11)12)6-8-7(2)4-5-15-8/h4-5,9H,3,6H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide?
2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide has a molecular weight of 233.67 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-2-fluoro-N-[(3-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 167984402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).