N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide

C19H18FNO3 — CID 18164395

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NC1CCOc2ccccc21
InChIInChI=1S/C19H18FNO3/c20-14-7-5-13(6-8-14)17(22)9-10-19(23)21-16-11-12-24-18-4-2-1-3-15(16)18/h1-8,16H,9-12H2,(H,21,23)
InChIKeyAIOMVTKKBKRXNQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.43
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 18164395) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID18164395
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NC1CCOc2ccccc21
InChIInChI=1S/C19H18FNO3/c20-14-7-5-13(6-8-14)17(22)9-10-19(23)21-16-11-12-24-18-4-2-1-3-15(16)18/h1-8,16H,9-12H2,(H,21,23)
InChIKeyAIOMVTKKBKRXNQ-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
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N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
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N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
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[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 18164395) is N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is AIOMVTKKBKRXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-14-7-5-13(6-8-14)17(22)9-10-19(23)21-16-11-12-24-18-4-2-1-3-15(16)18/h1-8,16H,9-12H2,(H,21,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 327.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 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)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 18164395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).