N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide

C16H14FNO3 — CID 104916741

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NC1CCOc2ccccc21)c1c(O)cccc1F
InChIInChI=1S/C16H14FNO3/c17-11-5-3-6-13(19)15(11)16(20)18-12-8-9-21-14-7-2-1-4-10(12)14/h1-7,12,19H,8-9H2,(H,18,20)
InChIKeyYXCVCUBEGVEGIO-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.78
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 104916741) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID104916741
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NC1CCOc2ccccc21)c1c(O)cccc1F
InChIInChI=1S/C16H14FNO3/c17-11-5-3-6-13(19)15(11)16(20)18-12-8-9-21-14-7-2-1-4-10(12)14/h1-7,12,19H,8-9H2,(H,18,20)
InChIKeyYXCVCUBEGVEGIO-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
N-[(2S)-1-(3,4-dihydro-2H-chromen-4-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55942917
N-[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 8927888
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-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8819787
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide (CID 104916741) is N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide is O=C(NC1CCOc2ccccc21)c1c(O)cccc1F.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is YXCVCUBEGVEGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-11-5-3-6-13(19)15(11)16(20)18-12-8-9-21-14-7-2-1-4-10(12)14/h1-7,12,19H,8-9H2,(H,18,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 287.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104916741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).