N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide

C19H17F2NO2 — CID 86946401

IUPACN-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide
SMILESCC(CCc1ccc(F)c(F)c1)NC(=O)c1coc2ccccc12
InChIInChI=1S/C19H17F2NO2/c1-12(6-7-13-8-9-16(20)17(21)10-13)22-19(23)15-11-24-18-5-3-2-4-14(15)18/h2-5,8-12H,6-7H2,1H3,(H,22,23)
InChIKeyJPIACKIHWFYZEM-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.46
Rot. Bonds5

About N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide

N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 86946401) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide
PubChem CID86946401
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC NameN-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide
SMILESCC(CCc1ccc(F)c(F)c1)NC(=O)c1coc2ccccc12
InChIInChI=1S/C19H17F2NO2/c1-12(6-7-13-8-9-16(20)17(21)10-13)22-19(23)15-11-24-18-5-3-2-4-14(15)18/h2-5,8-12H,6-7H2,1H3,(H,22,23)
InChIKeyJPIACKIHWFYZEM-UHFFFAOYSA-N
XLogP4.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
CID 106357075
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790915
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 103801373
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
CID 86894208
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
1-(1-benzofuran-3-yl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103039484
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide (CID 86946401) is N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide is CC(CCc1ccc(F)c(F)c1)NC(=O)c1coc2ccccc12.
What is the InChIKey of N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide?
The InChIKey is JPIACKIHWFYZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c1-12(6-7-13-8-9-16(20)17(21)10-13)22-19(23)15-11-24-18-5-3-2-4-14(15)18/h2-5,8-12H,6-7H2,1H3,(H,22,23).
What are the key properties of N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide?
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 86946401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).