N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

C19H19F2NO2 — CID 45182302

IUPACN-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1Cc2cc(F)cc(-c3ccc(F)c(C)c3)c2O1
InChIInChI=1S/C19H19F2NO2/c1-3-18(23)22-10-15-8-13-7-14(20)9-16(19(13)24-15)12-4-5-17(21)11(2)6-12/h4-7,9,15H,3,8,10H2,1-2H3,(H,22,23)
InChIKeySGUDTOBPSSEUAD-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.77
Rot. Bonds4

About N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (PubChem CID 45182302) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
PubChem CID45182302
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC NameN-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1Cc2cc(F)cc(-c3ccc(F)c(C)c3)c2O1
InChIInChI=1S/C19H19F2NO2/c1-3-18(23)22-10-15-8-13-7-14(20)9-16(19(13)24-15)12-4-5-17(21)11(2)6-12/h4-7,9,15H,3,8,10H2,1-2H3,(H,22,23)
InChIKeySGUDTOBPSSEUAD-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45215564
N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 58747562
2-(3,4-difluorophenyl)-N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45176529
2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide
CID 56706391
N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 26342022
methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate
CID 42501902
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45178081
N-[[(2S)-5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-difluorobenzamide
CID 92757698
2-(cyclohexen-1-yl)-N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45169128
N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 42371101
3-acetamido-N-[[(2S)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42370137

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (CID 45182302) is N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is CCC(=O)NCC1Cc2cc(F)cc(-c3ccc(F)c(C)c3)c2O1.
What is the InChIKey of N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The InChIKey is SGUDTOBPSSEUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-3-18(23)22-10-15-8-13-7-14(20)9-16(19(13)24-15)12-4-5-17(21)11(2)6-12/h4-7,9,15H,3,8,10H2,1-2H3,(H,22,23).
What are the key properties of N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide has a molecular weight of 331.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is sourced from PubChem (CID 45182302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).