N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide

C13H13FN2O2 — CID 55161647

IUPACN-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccoc2)c1
InChIInChI=1S/C13H13FN2O2/c1-9(17)16-11-2-3-12(14)13(6-11)15-7-10-4-5-18-8-10/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyRKHAVIXYRXRQAV-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.99
Rot. Bonds4

About N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide

N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide (PubChem CID 55161647) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
PubChem CID55161647
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccoc2)c1
InChIInChI=1S/C13H13FN2O2/c1-9(17)16-11-2-3-12(14)13(6-11)15-7-10-4-5-18-8-10/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyRKHAVIXYRXRQAV-UHFFFAOYSA-N
XLogP2.99
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204406
2-fluoro-5-(furan-3-ylmethylamino)benzoic acid
CID 63204868
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide
CID 47039415
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide
CID 34067729
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369
N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide
CID 43778935
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 81311947
methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
CID 55161652

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide (CID 55161647) is N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(F)c(NCc2ccoc2)c1.
What is the InChIKey of N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide?
The InChIKey is RKHAVIXYRXRQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-9(17)16-11-2-3-12(14)13(6-11)15-7-10-4-5-18-8-10/h2-6,8,15H,7H2,1H3,(H,16,17).
What are the key properties of N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide?
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide has a molecular weight of 248.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 55161647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).