N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide

C18H17FN2O3 — CID 110729776

IUPACN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cc(F)cc3c2OCC(=O)N3)c1
InChIInChI=1S/C18H17FN2O3/c1-11-3-2-4-12(7-11)5-6-16(22)20-14-8-13(19)9-15-18(14)24-10-17(23)21-15/h2-4,7-9H,5-6,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyCNTCPWYQGPDXHX-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.04
Rot. Bonds4

About N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide

N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide (PubChem CID 110729776) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide
PubChem CID110729776
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cc(F)cc3c2OCC(=O)N3)c1
InChIInChI=1S/C18H17FN2O3/c1-11-3-2-4-12(7-11)5-6-16(22)20-14-8-13(19)9-15-18(14)24-10-17(23)21-15/h2-4,7-9H,5-6,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyCNTCPWYQGPDXHX-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide
CID 110729780
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide
CID 110729770
2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110729688
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide
CID 110729773
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484
N-(3-amino-5-fluorophenyl)-3-(3-methylphenyl)propanamide
CID 107333898
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789939
3-(3-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 110777102
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127122015
N-(2-acetylphenyl)-3-(3-methylphenyl)propanamide
CID 60700220

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide (CID 110729776) is N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2cc(F)cc3c2OCC(=O)N3)c1.
What is the InChIKey of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is CNTCPWYQGPDXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-3-2-4-12(7-11)5-6-16(22)20-14-8-13(19)9-15-18(14)24-10-17(23)21-15/h2-4,7-9H,5-6,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide?
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 328.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 110729776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).