methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate

C14H12FNO4 — CID 71979295

IUPACmethyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate
SMILESCOC(=O)CN(C(=O)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C14H12FNO4/c1-19-13(17)9-16(11-5-2-4-10(15)8-11)14(18)12-6-3-7-20-12/h2-8H,9H2,1H3
InChIKeyZKLJRBPCJCDFEP-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.24
Rot. Bonds4

About methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate

methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate (PubChem CID 71979295) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate
PubChem CID71979295
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Namemethyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate
SMILESCOC(=O)CN(C(=O)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C14H12FNO4/c1-19-13(17)9-16(11-5-2-4-10(15)8-11)14(18)12-6-3-7-20-12/h2-8H,9H2,1H3
InChIKeyZKLJRBPCJCDFEP-UHFFFAOYSA-N
XLogP2.24
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 42504
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N-[4-(diethylamino)phenyl]-2-furancarboxamide
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4'-Methoxy-2-furanilide
CID 303388
N-(4-Fluorophenyl)-2-furamide
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propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
CID 140430650
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
N-(3,4-difluorophenyl)furan-2-carboxamide
CID 743722

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate?
The IUPAC name of methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate (CID 71979295) is methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate.
What is the SMILES notation for methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate?
The canonical SMILES for methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate is COC(=O)CN(C(=O)c1ccco1)c1cccc(F)c1.
What is the InChIKey of methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate?
The InChIKey is ZKLJRBPCJCDFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-19-13(17)9-16(11-5-2-4-10(15)8-11)14(18)12-6-3-7-20-12/h2-8H,9H2,1H3.
What are the key properties of methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate?
methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate has a molecular weight of 277.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetate is sourced from PubChem (CID 71979295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).