N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide

C17H16FNO2 — CID 110751156

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1F)C1CCOc2ccccc21
InChIInChI=1S/C17H16FNO2/c1-19(17(20)12-6-2-4-8-14(12)18)15-10-11-21-16-9-5-3-7-13(15)16/h2-9,15H,10-11H2,1H3
InChIKeyRXYADBGOIWMTKX-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.42
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide (PubChem CID 110751156) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
PubChem CID110751156
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1F)C1CCOc2ccccc21
InChIInChI=1S/C17H16FNO2/c1-19(17(20)12-6-2-4-8-14(12)18)15-10-11-21-16-9-5-3-7-13(15)16/h2-9,15H,10-11H2,1H3
InChIKeyRXYADBGOIWMTKX-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
CID 110751162
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
CID 110750876
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,2-dimethylpropyl)-1-methylurea
CID 110750879
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 110750957
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
CID 110751142
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110750956
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110751222

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide (CID 110751156) is N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide is CN(C(=O)c1ccccc1F)C1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide?
The InChIKey is RXYADBGOIWMTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-19(17(20)12-6-2-4-8-14(12)18)15-10-11-21-16-9-5-3-7-13(15)16/h2-9,15H,10-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide has a molecular weight of 285.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 110751156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).