N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide

C17H16FNO2 — CID 90635197

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide
SMILESO=C(NCC1Cc2ccccc2CO1)c1cccc(F)c1
InChIInChI=1S/C17H16FNO2/c18-15-7-3-6-13(8-15)17(20)19-10-16-9-12-4-1-2-5-14(12)11-21-16/h1-8,16H,9-11H2,(H,19,20)
InChIKeyJLDNNSVDRIMPIJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.70
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide (PubChem CID 90635197) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide
PubChem CID90635197
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide
SMILESO=C(NCC1Cc2ccccc2CO1)c1cccc(F)c1
InChIInChI=1S/C17H16FNO2/c18-15-7-3-6-13(8-15)17(20)19-10-16-9-12-4-1-2-5-14(12)11-21-16/h1-8,16H,9-11H2,(H,19,20)
InChIKeyJLDNNSVDRIMPIJ-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-methoxybenzamide
CID 90635187
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide
CID 90635248
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-3,5-dimethoxybenzamide
CID 100750944
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
CID 42908439
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-4-oxo-4-phenylbutanamide
CID 90635114
4-butoxy-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)benzamide
CID 90635191
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 90635244
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 100751269
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 90635386
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 90635122
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide (CID 90635197) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide is O=C(NCC1Cc2ccccc2CO1)c1cccc(F)c1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide?
The InChIKey is JLDNNSVDRIMPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-7-3-6-13(8-15)17(20)19-10-16-9-12-4-1-2-5-14(12)11-21-16/h1-8,16H,9-11H2,(H,19,20).
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-fluorobenzamide has a molecular weight of 285.32 g/mol, XLogP of 2.70, 3 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)-3-fluorobenzamide is sourced from PubChem (CID 90635197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).