N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C16H15FN2O2 — CID 62811648

IUPACN-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNc3ccccc3O2)ccc1F
InChIInChI=1S/C16H15FN2O2/c1-10-8-11(6-7-12(10)17)19-16(20)15-9-18-13-4-2-3-5-14(13)21-15/h2-8,15,18H,9H2,1H3,(H,19,20)
InChIKeyYXTHLCNQCNWSOA-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.95
Rot. Bonds2

About N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 62811648) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID62811648
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNc3ccccc3O2)ccc1F
InChIInChI=1S/C16H15FN2O2/c1-10-8-11(6-7-12(10)17)19-16(20)15-9-18-13-4-2-3-5-14(13)21-15/h2-8,15,18H,9H2,1H3,(H,19,20)
InChIKeyYXTHLCNQCNWSOA-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 62811648) is N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is Cc1cc(NC(=O)C2CNc3ccccc3O2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is YXTHLCNQCNWSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-8-11(6-7-12(10)17)19-16(20)15-9-18-13-4-2-3-5-14(13)21-15/h2-8,15,18H,9H2,1H3,(H,19,20).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 62811648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).