N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide

C16H17F2NO2 — CID 46522444

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C)c2ccc(F)c(F)c2)c1C
InChIInChI=1S/C16H17F2NO2/c1-8-10(3)21-11(4)15(8)16(20)19-9(2)12-5-6-13(17)14(18)7-12/h5-7,9H,1-4H3,(H,19,20)
InChIKeyBPKYNJMPDCAESH-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.97
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide

N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 46522444) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
PubChem CID46522444
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C)c2ccc(F)c(F)c2)c1C
InChIInChI=1S/C16H17F2NO2/c1-8-10(3)21-11(4)15(8)16(20)19-9(2)12-5-6-13(17)14(18)7-12/h5-7,9H,1-4H3,(H,19,20)
InChIKeyBPKYNJMPDCAESH-UHFFFAOYSA-N
XLogP3.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide
CID 46432738
2,4,5-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 46599636
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
1-[1-(3,4-difluorophenyl)ethyl]-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
CID 134008884
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46418044
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41096263
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide (CID 46522444) is N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NC(C)c2ccc(F)c(F)c2)c1C.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is BPKYNJMPDCAESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-8-10(3)21-11(4)15(8)16(20)19-9(2)12-5-6-13(17)14(18)7-12/h5-7,9H,1-4H3,(H,19,20).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide?
N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 46522444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).