N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide

C17H13F2NO2 — CID 8782108

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1F
InChIInChI=1S/C17H13F2NO2/c1-10(13-7-6-12(18)9-14(13)19)20-17(21)16-8-11-4-2-3-5-15(11)22-16/h2-10H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyKLGIDXITCHEVTC-JTQLQIEISA-N
MW301.29 g/mol
LogP4.20
Rot. Bonds3

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 8782108) has the molecular formula C17H13F2NO2 and a molecular weight of 301.29 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID8782108
Molecular FormulaC17H13F2NO2
Molecular Weight301.29 g/mol
Exact Mass301.09
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1F
InChIInChI=1S/C17H13F2NO2/c1-10(13-7-6-12(18)9-14(13)19)20-17(21)16-8-11-4-2-3-5-15(11)22-16/h2-10H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyKLGIDXITCHEVTC-JTQLQIEISA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9429422
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 51150401
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide
CID 86930731
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide (CID 8782108) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide is C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is KLGIDXITCHEVTC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13F2NO2/c1-10(13-7-6-12(18)9-14(13)19)20-17(21)16-8-11-4-2-3-5-15(11)22-16/h2-10H,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8782108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).