(Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide

C19H17FN2O3 — CID 60575706

IUPAC(Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide
SMILESC/C(=C/C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2)c1ccccc1F
InChIInChI=1S/C19H17FN2O3/c1-11(14-5-3-4-6-15(14)20)9-18(23)21-13-7-8-17-16(10-13)22-19(24)12(2)25-17/h3-10,12H,1-2H3,(H,21,23)(H,22,24)/b11-9-
InChIKeyPDSKFBIOBFIXFY-LUAWRHEFSA-N
MW340.35 g/mol
LogP3.59
Rot. Bonds3

About (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide

(Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide (PubChem CID 60575706) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide
PubChem CID60575706
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide
SMILESC/C(=C/C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2)c1ccccc1F
InChIInChI=1S/C19H17FN2O3/c1-11(14-5-3-4-6-15(14)20)9-18(23)21-13-7-8-17-16(10-13)22-19(24)12(2)25-17/h3-10,12H,1-2H3,(H,21,23)(H,22,24)/b11-9-
InChIKeyPDSKFBIOBFIXFY-LUAWRHEFSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
(E)-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobut-2-enoic acid
CID 60941117
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 46552434
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
1-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]urea
CID 129366717
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
CID 41096038
(E)-3-(4-acetamidophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 46520996
4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18090700

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide?
The IUPAC name of (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide (CID 60575706) is (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide.
What is the SMILES notation for (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide?
The canonical SMILES for (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide is C/C(=C/C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2)c1ccccc1F.
What is the InChIKey of (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide?
The InChIKey is PDSKFBIOBFIXFY-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-11(14-5-3-4-6-15(14)20)9-18(23)21-13-7-8-17-16(10-13)22-19(24)12(2)25-17/h3-10,12H,1-2H3,(H,21,23)(H,22,24)/b11-9-.
What are the key properties of (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide?
(Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide has a molecular weight of 340.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enamide is sourced from PubChem (CID 60575706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).