3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide

C19H19FN2O3 — CID 166285602

IUPAC3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)NCCC2CCOc3ccccc32)c1
InChIInChI=1S/C19H19FN2O3/c20-16-6-5-13(18(21)23)11-15(16)19(24)22-9-7-12-8-10-25-17-4-2-1-3-14(12)17/h1-6,11-12H,7-10H2,(H2,21,23)(H,22,24)
InChIKeyMVJAREIAFJHGHT-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.61
Rot. Bonds5

About 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide

3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide (PubChem CID 166285602) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
PubChem CID166285602
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)NCCC2CCOc3ccccc32)c1
InChIInChI=1S/C19H19FN2O3/c20-16-6-5-13(18(21)23)11-15(16)19(24)22-9-7-12-8-10-25-17-4-2-1-3-14(12)17/h1-6,11-12H,7-10H2,(H2,21,23)(H,22,24)
InChIKeyMVJAREIAFJHGHT-UHFFFAOYSA-N
XLogP2.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285299
3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
CID 166285453
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 104769760
5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide
CID 43705298
4-fluoro-3-N-[2-(1-hydroxycyclopentyl)ethyl]benzene-1,3-dicarboxamide
CID 166286961
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2-fluoro-5-propan-2-ylbenzamide
CID 166367622
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide (CID 166285602) is 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide is NC(=O)c1ccc(F)c(C(=O)NCCC2CCOc3ccccc32)c1.
What is the InChIKey of 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
The InChIKey is MVJAREIAFJHGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-6-5-13(18(21)23)11-15(16)19(24)22-9-7-12-8-10-25-17-4-2-1-3-14(12)17/h1-6,11-12H,7-10H2,(H2,21,23)(H,22,24).
What are the key properties of 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-fluorobenzene-1,3-dicarboxamide is sourced from PubChem (CID 166285602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).