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

C15H15F2NO2 — CID 86930731

IUPACN-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)c2ccc(F)cc2F)o1
InChIInChI=1S/C15H15F2NO2/c1-3-11-5-7-14(20-11)15(19)18-9(2)12-6-4-10(16)8-13(12)17/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyYTQKGQXNTLRARD-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.61
Rot. Bonds4

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

N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide (PubChem CID 86930731) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide
PubChem CID86930731
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)c2ccc(F)cc2F)o1
InChIInChI=1S/C15H15F2NO2/c1-3-11-5-7-14(20-11)15(19)18-9(2)12-6-4-10(16)8-13(12)17/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyYTQKGQXNTLRARD-UHFFFAOYSA-N
XLogP3.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 51150401
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9429422
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 8782108
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide
CID 125142754
2-[(5-ethylfuran-2-carbonyl)amino]-5-fluorobenzoic acid
CID 43172269
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4-ethylphenyl)thiourea
CID 8655777
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide (CID 86930731) is N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NC(C)c2ccc(F)cc2F)o1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide?
The InChIKey is YTQKGQXNTLRARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-3-11-5-7-14(20-11)15(19)18-9(2)12-6-4-10(16)8-13(12)17/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide?
N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 86930731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).