N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide

C20H20FNO4 — CID 91794545

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1cc(O)ccc1F
InChIInChI=1S/C20H20FNO4/c21-17-3-2-14(23)10-16(17)20(25)22-19(13-8-15(24)9-13)12-1-4-18-11(7-12)5-6-26-18/h1-4,7,10,13,15,19,23-24H,5-6,8-9H2,(H,22,25)
InChIKeyJICZJNOJFOIPLW-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.71
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide (PubChem CID 91794545) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide
PubChem CID91794545
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1cc(O)ccc1F
InChIInChI=1S/C20H20FNO4/c21-17-3-2-14(23)10-16(17)20(25)22-19(13-8-15(24)9-13)12-1-4-18-11(7-12)5-6-26-18/h1-4,7,10,13,15,19,23-24H,5-6,8-9H2,(H,22,25)
InChIKeyJICZJNOJFOIPLW-UHFFFAOYSA-N
XLogP2.71
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R)-1-(3,3-difluorocyclobutanecarbonyl)pyrrolidin-3-yl]oxy-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
CID 164625366
4-(3-fluoro-5-hydroxyphenyl)-6-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-2,3-dihydroisoindol-1-one
CID 164626051
[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[3-hydroxy-4-(hydroxymethyl)phenyl]methanone
CID 89528081
(2S,3S)-2-(fluoromethyl)-5-N-(3-hydroxycyclobutyl)-7-N-methyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 132004106
(2S,3S)-2-(fluoromethyl)-5-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-7-N-methyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 138618746
(E)-3-(2,6-difluorophenyl)-N-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]prop-2-enamide
CID 9996654
6-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxy-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
CID 164616225
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzamide
CID 2738881
N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide
CID 2742239
N-heptan-4-yl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 57527974
3-[4-(Cyclopentyloxy)phenyl]-3-[(3-fluorobenzoyl)amino]propanoic acid
CID 4915794
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide
CID 46082456

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide (CID 91794545) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide is O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1cc(O)ccc1F.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide?
The InChIKey is JICZJNOJFOIPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c21-17-3-2-14(23)10-16(17)20(25)22-19(13-8-15(24)9-13)12-1-4-18-11(7-12)5-6-26-18/h1-4,7,10,13,15,19,23-24H,5-6,8-9H2,(H,22,25).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide has a molecular weight of 357.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-5-hydroxybenzamide is sourced from PubChem (CID 91794545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).