N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide

C14H14FNO2 — CID 18118749

IUPACN-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2cccc(F)c2)o1
InChIInChI=1S/C14H14FNO2/c1-10-5-6-13(18-10)14(17)16-8-7-11-3-2-4-12(15)9-11/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyYEXNFPXPJSGWPP-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide

N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide (PubChem CID 18118749) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
PubChem CID18118749
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2cccc(F)c2)o1
InChIInChI=1S/C14H14FNO2/c1-10-5-6-13(18-10)14(17)16-8-7-11-3-2-4-12(15)9-11/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyYEXNFPXPJSGWPP-UHFFFAOYSA-N
XLogP2.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
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2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 9182267
3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
CID 104851939
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
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CID 61145838

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide (CID 18118749) is N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCCc2cccc(F)c2)o1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
The InChIKey is YEXNFPXPJSGWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-10-5-6-13(18-10)14(17)16-8-7-11-3-2-4-12(15)9-11/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 18118749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).