3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide

C23H17F2NO2 — CID 146240011

IUPAC3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(-c2cc3ccccc3o2)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C23H17F2NO2/c24-18-12-19(25)14-20(13-18)26-23(27)10-7-15-5-8-16(9-6-15)22-11-17-3-1-2-4-21(17)28-22/h1-6,8-9,11-14H,7,10H2,(H,26,27)
InChIKeyFFVKNZKLJYIFQP-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.95
Rot. Bonds5

About 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide

3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide (PubChem CID 146240011) has the molecular formula C23H17F2NO2 and a molecular weight of 377.39 g/mol. Its IUPAC name is 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide
PubChem CID146240011
Molecular FormulaC23H17F2NO2
Molecular Weight377.39 g/mol
Exact Mass377.12
IUPAC Name3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(-c2cc3ccccc3o2)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C23H17F2NO2/c24-18-12-19(25)14-20(13-18)26-23(27)10-7-15-5-8-16(9-6-15)22-11-17-3-1-2-4-21(17)28-22/h1-6,8-9,11-14H,7,10H2,(H,26,27)
InChIKeyFFVKNZKLJYIFQP-UHFFFAOYSA-N
XLogP5.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-benzofuran-2-yl)phenyl]ethanamine
CID 110282118
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 8702470
ethyl 5-[4-[[(2R)-3-[4-(1-benzofuran-2-yl)phenyl]-1-(3,5-difluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-5-oxopentanoate
CID 147301894
(2S)-2-amino-3-[4-(1-benzofuran-2-yl)phenyl]propanoic acid
CID 68534596
N-(3-amino-5-fluorophenyl)-3-(3-methylphenyl)propanamide
CID 107333898
N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
CID 22587363
methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate
CID 19371200
3-[[4-[[(2S)-1-[4-(1-benzofuran-2-yl)anilino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]amino]benzoyl]amino]propanoic acid
CID 146224122
4-[4-[3-[4-(1-benzofuran-2-yl)anilino]-2-[[4-(4-fluorophenyl)phenyl]methyl]-3-oxopropyl]phenyl]-4-oxobutane-1-sulfonic acid
CID 147504552
3-(1,3-benzodioxol-5-yl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 41255563
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
N-(3,5-difluorophenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
CID 53131277

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide?
The IUPAC name of 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide (CID 146240011) is 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide?
The canonical SMILES for 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide is O=C(CCc1ccc(-c2cc3ccccc3o2)cc1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide?
The InChIKey is FFVKNZKLJYIFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO2/c24-18-12-19(25)14-20(13-18)26-23(27)10-7-15-5-8-16(9-6-15)22-11-17-3-1-2-4-21(17)28-22/h1-6,8-9,11-14H,7,10H2,(H,26,27).
What are the key properties of 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide?
3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide has a molecular weight of 377.39 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-benzofuran-2-yl)phenyl]-N-(3,5-difluorophenyl)propanamide is sourced from PubChem (CID 146240011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).