N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C18H21FN2O3 — CID 9210434

IUPACN-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3/c1-12(2)16(21-17(22)15-4-3-11-24-15)18(23)20-10-9-13-5-7-14(19)8-6-13/h3-8,11-12,16H,9-10H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyCYARVKVOFSTTMT-INIZCTEOSA-N
MW332.38 g/mol
LogP2.53
Rot. Bonds7

About N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 9210434) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID9210434
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC NameN-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3/c1-12(2)16(21-17(22)15-4-3-11-24-15)18(23)20-10-9-13-5-7-14(19)8-6-13/h3-8,11-12,16H,9-10H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyCYARVKVOFSTTMT-INIZCTEOSA-N
XLogP2.53
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78797273
N-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-carboxamide
CID 110866126
N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9159876
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
CID 30590977
N-[(2S)-1-(2-benzylsulfanylethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548221
4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157888
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
2-ethoxy-N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2712700
N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 124617658
N-[1-[2-(3-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55361205

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 9210434) is N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is CYARVKVOFSTTMT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12(2)16(21-17(22)15-4-3-11-24-15)18(23)20-10-9-13-5-7-14(19)8-6-13/h3-8,11-12,16H,9-10H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 9210434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).