N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide

C19H18FNO3 — CID 97016841

IUPACN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)N[C@@H]1COc2ccccc21
InChIInChI=1S/C19H18FNO3/c20-14-10-8-13(9-11-14)17(22)5-3-7-19(23)21-16-12-24-18-6-2-1-4-15(16)18/h1-2,4,6,8-11,16H,3,5,7,12H2,(H,21,23)/t16-/m1/s1
InChIKeyYBJRIABPOVGLAZ-MRXNPFEDSA-N
MW327.36 g/mol
LogP3.43
Rot. Bonds6

About N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide

N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide (PubChem CID 97016841) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
PubChem CID97016841
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)N[C@@H]1COc2ccccc21
InChIInChI=1S/C19H18FNO3/c20-14-10-8-13(9-11-14)17(22)5-3-7-19(23)21-16-12-24-18-6-2-1-4-15(16)18/h1-2,4,6,8-11,16H,3,5,7,12H2,(H,21,23)/t16-/m1/s1
InChIKeyYBJRIABPOVGLAZ-MRXNPFEDSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
5-(4-fluorophenyl)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxopentanamide
CID 95769418
N-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-fluorophenoxy)acetamide
CID 110751651
2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 94814028
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 97003504
N-(2,3-dihydro-1-benzofuran-3-yl)-3-piperidin-1-ylpropanamide
CID 91785327
4-(azepan-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)-4-oxobutanamide
CID 135110920
N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide
CID 110751628
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
CID 110475783

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide?
The IUPAC name of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide (CID 97016841) is N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide.
What is the SMILES notation for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide?
The canonical SMILES for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide is O=C(CCCC(=O)c1ccc(F)cc1)N[C@@H]1COc2ccccc21.
What is the InChIKey of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide?
The InChIKey is YBJRIABPOVGLAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-14-10-8-13(9-11-14)17(22)5-3-7-19(23)21-16-12-24-18-6-2-1-4-15(16)18/h1-2,4,6,8-11,16H,3,5,7,12H2,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide?
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide has a molecular weight of 327.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide is sourced from PubChem (CID 97016841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).