N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide

C18H21FN2O3 — CID 51182582

IUPACN-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H21FN2O3/c1-4-21(11-17(22)20-12(2)3)18(23)16-10-9-15(24-16)13-5-7-14(19)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,22)
InChIKeyBWBPJRNVPDQICG-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.07
Rot. Bonds6

About N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide

N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide (PubChem CID 51182582) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
PubChem CID51182582
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC NameN-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H21FN2O3/c1-4-21(11-17(22)20-12(2)3)18(23)16-10-9-15(24-16)13-5-7-14(19)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,22)
InChIKeyBWBPJRNVPDQICG-UHFFFAOYSA-N
XLogP3.07
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78789833
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 119954940
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 2552428
(2S)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 94317037
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665
N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47105894

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide (CID 51182582) is N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide?
The InChIKey is BWBPJRNVPDQICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-4-21(11-17(22)20-12(2)3)18(23)16-10-9-15(24-16)13-5-7-14(19)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,22).
What are the key properties of N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide?
N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 51182582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).