4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide

C14H15FN2O2 — CID 43701200

IUPAC4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
SMILESCc1ccc(C(C)Nc2cc(C(N)=O)ccc2F)o1
InChIInChI=1S/C14H15FN2O2/c1-8-3-6-13(19-8)9(2)17-12-7-10(14(16)18)4-5-11(12)15/h3-7,9,17H,1-2H3,(H2,16,18)
InChIKeyLUHSMUVXDIHXAO-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.00
Rot. Bonds4

About 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide

4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide (PubChem CID 43701200) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
PubChem CID43701200
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
SMILESCc1ccc(C(C)Nc2cc(C(N)=O)ccc2F)o1
InChIInChI=1S/C14H15FN2O2/c1-8-3-6-13(19-8)9(2)17-12-7-10(14(16)18)4-5-11(12)15/h3-7,9,17H,1-2H3,(H2,16,18)
InChIKeyLUHSMUVXDIHXAO-UHFFFAOYSA-N
XLogP3.00
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43735801
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitroaniline
CID 43719162
4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
CID 43701049
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
CID 43701132
4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63083935
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
CID 82778357
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
2,3-difluoro-4-[1-(5-methylfuran-2-yl)ethylamino]benzenecarbothioamide
CID 107934691

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide?
The IUPAC name of 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide (CID 43701200) is 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide.
What is the SMILES notation for 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide?
The canonical SMILES for 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide is Cc1ccc(C(C)Nc2cc(C(N)=O)ccc2F)o1.
What is the InChIKey of 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide?
The InChIKey is LUHSMUVXDIHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8-3-6-13(19-8)9(2)17-12-7-10(14(16)18)4-5-11(12)15/h3-7,9,17H,1-2H3,(H2,16,18).
What are the key properties of 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide?
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide has a molecular weight of 262.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide is sourced from PubChem (CID 43701200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).