N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide

C19H14F3NO2 — CID 9429422

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccc(F)cc1F
InChIInChI=1S/C19H14F3NO2/c1-11(13-7-6-12(20)10-16(13)22)23-19(24)18-9-8-17(25-18)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,23,24)/t11-/m0/s1
InChIKeyNYNAFHNIEBYSIO-NSHDSACASA-N
MW345.32 g/mol
LogP4.85
Rot. Bonds4

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 9429422) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID9429422
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccc(F)cc1F
InChIInChI=1S/C19H14F3NO2/c1-11(13-7-6-12(20)10-16(13)22)23-19(24)18-9-8-17(25-18)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,23,24)/t11-/m0/s1
InChIKeyNYNAFHNIEBYSIO-NSHDSACASA-N
XLogP4.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 51150401
N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide
CID 86930731
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 8782108
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8756941
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
5-(2-fluorophenyl)-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]furan-2-carboxamide
CID 94094462
5-(2-fluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]furan-2-carboxamide
CID 119041127
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide (CID 9429422) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide is C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is NYNAFHNIEBYSIO-NSHDSACASA-N. The full InChI is InChI=1S/C19H14F3NO2/c1-11(13-7-6-12(20)10-16(13)22)23-19(24)18-9-8-17(25-18)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,23,24)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 4.85, 4 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]-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 9429422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).