N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C18H19FN2O4 — CID 124617658

IUPACN-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(F)cc1NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C18H19FN2O4/c1-10(2)16(21-17(23)15-5-4-8-25-15)18(24)20-14-9-12(19)6-7-13(14)11(3)22/h4-10,16H,1-3H3,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyQAPQQUZEZJJCQP-INIZCTEOSA-N
MW346.36 g/mol
LogP3.01
Rot. Bonds6

About N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 124617658) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID124617658
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(F)cc1NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C18H19FN2O4/c1-10(2)16(21-17(23)15-5-4-8-25-15)18(24)20-14-9-12(19)6-7-13(14)11(3)22/h4-10,16H,1-3H3,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyQAPQQUZEZJJCQP-INIZCTEOSA-N
XLogP3.01
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
N-[(2S)-1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138220
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
N-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43011577
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
N-[(2S)-1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611817
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9159876
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2R)-3-methyl-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]furan-2-carboxamide
CID 30866106

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 124617658) is N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(=O)c1ccc(F)cc1NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C.
What is the InChIKey of N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is QAPQQUZEZJJCQP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-10(2)16(21-17(23)15-5-4-8-25-15)18(24)20-14-9-12(19)6-7-13(14)11(3)22/h4-10,16H,1-3H3,(H,20,24)(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 124617658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).