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

C18H18FNO2 — CID 90635248

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1Cc2ccccc2CO1
InChIInChI=1S/C18H18FNO2/c19-16-7-5-13(6-8-16)9-18(21)20-11-17-10-14-3-1-2-4-15(14)12-22-17/h1-8,17H,9-12H2,(H,20,21)
InChIKeyXQPNDLDWPBVVOF-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.63
Rot. Bonds4

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

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide (PubChem CID 90635248) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide
PubChem CID90635248
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1Cc2ccccc2CO1
InChIInChI=1S/C18H18FNO2/c19-16-7-5-13(6-8-16)9-18(21)20-11-17-10-14-3-1-2-4-15(14)12-22-17/h1-8,17H,9-12H2,(H,20,21)
InChIKeyXQPNDLDWPBVVOF-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 90635244
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide
CID 90635197
2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
CID 110710097
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
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-4-oxo-4-phenylbutanamide
CID 90635114
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750973
2-(4-chlorophenoxy)-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)acetamide
CID 90635233
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dihydro-1H-isochromen-3-ylmethyl)urea
CID 91626535
N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 125169186
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide
CID 90635975
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-fluorophenyl)acetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide (CID 90635248) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCC1Cc2ccccc2CO1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is XQPNDLDWPBVVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-7-5-13(6-8-16)9-18(21)20-11-17-10-14-3-1-2-4-15(14)12-22-17/h1-8,17H,9-12H2,(H,20,21).
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 299.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 90635248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).