N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide

C16H18FNO3 — CID 110788942

IUPACN-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2ccco2)cc1F
InChIInChI=1S/C16H18FNO3/c1-11(2)21-14-6-5-12(10-13(14)17)7-8-18-16(19)15-4-3-9-20-15/h3-6,9-11H,7-8H2,1-2H3,(H,18,19)
InChIKeyGQKLXTDYNFRBAB-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide

N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 110788942) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide
PubChem CID110788942
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC NameN-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2ccco2)cc1F
InChIInChI=1S/C16H18FNO3/c1-11(2)21-14-6-5-12(10-13(14)17)7-8-18-16(19)15-4-3-9-20-15/h3-6,9-11H,7-8H2,1-2H3,(H,18,19)
InChIKeyGQKLXTDYNFRBAB-UHFFFAOYSA-N
XLogP3.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110788935
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036
[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 167980898
N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78797273
N-[2-[[N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111589410
N-[2-[[N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111214314
N-[2-[[N-ethyl-N'-[2-(2-fluorophenoxy)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111684644
N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110788022
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
CID 110782111
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide (CID 110788942) is N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide is CC(C)Oc1ccc(CCNC(=O)c2ccco2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is GQKLXTDYNFRBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-11(2)21-14-6-5-12(10-13(14)17)7-8-18-16(19)15-4-3-9-20-15/h3-6,9-11H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide?
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110788942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).