5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide

C20H26FNO4 — CID 97078199

IUPAC5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide
SMILESCC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc(COc2ccccc2F)o1
InChIInChI=1S/C20H26FNO4/c1-13(2)18(23)20(3,4)12-22-19(24)17-10-9-14(26-17)11-25-16-8-6-5-7-15(16)21/h5-10,13,18,23H,11-12H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyYPESFYSFBQIHFV-SFHVURJKSA-N
MW363.43 g/mol
LogP3.77
Rot. Bonds8

About 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide

5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide (PubChem CID 97078199) has the molecular formula C20H26FNO4 and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide
PubChem CID97078199
Molecular FormulaC20H26FNO4
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide
SMILESCC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc(COc2ccccc2F)o1
InChIInChI=1S/C20H26FNO4/c1-13(2)18(23)20(3,4)12-22-19(24)17-10-9-14(26-17)11-25-16-8-6-5-7-15(16)21/h5-10,13,18,23H,11-12H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyYPESFYSFBQIHFV-SFHVURJKSA-N
XLogP3.77
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
N-[[5-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62452473
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380671
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate
CID 55788987
5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide
CID 94461770
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826
5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19450276
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide (CID 97078199) is 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide is CC(C)[C@H](O)C(C)(C)CNC(=O)c1ccc(COc2ccccc2F)o1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide?
The InChIKey is YPESFYSFBQIHFV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26FNO4/c1-13(2)18(23)20(3,4)12-22-19(24)17-10-9-14(26-17)11-25-16-8-6-5-7-15(16)21/h5-10,13,18,23H,11-12H2,1-4H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide is sourced from PubChem (CID 97078199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).