N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide

C18H18FNO3 — CID 90635244

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1Cc2ccccc2CO1
InChIInChI=1S/C18H18FNO3/c19-15-5-7-16(8-6-15)23-12-18(21)20-10-17-9-13-3-1-2-4-14(13)11-22-17/h1-8,17H,9-12H2,(H,20,21)
InChIKeyYWEMIORKBAFSDX-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.46
Rot. Bonds5

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide (PubChem CID 90635244) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
PubChem CID90635244
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC1Cc2ccccc2CO1
InChIInChI=1S/C18H18FNO3/c19-15-5-7-16(8-6-15)23-12-18(21)20-10-17-9-13-3-1-2-4-14(13)11-22-17/h1-8,17H,9-12H2,(H,20,21)
InChIKeyYWEMIORKBAFSDX-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750973
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-phenoxyacetamide
CID 91626502
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750967
2-(4-chlorophenoxy)-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)acetamide
CID 90635233
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide
CID 90635248
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
4-butoxy-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)benzamide
CID 90635191
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide
CID 90635197
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-4-oxo-4-phenylbutanamide
CID 90635114
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-[3-(4-ethoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 90635403
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-3,5-dimethoxybenzamide
CID 100750944

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide (CID 90635244) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NCC1Cc2ccccc2CO1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is YWEMIORKBAFSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-15-5-7-16(8-6-15)23-12-18(21)20-10-17-9-13-3-1-2-4-14(13)11-22-17/h1-8,17H,9-12H2,(H,20,21).
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 315.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 90635244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).