2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one

C15H13NO2 — CID 2844986

IUPAC2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCc1ccc(C2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C15H13NO2/c1-10-6-8-11(9-7-10)15-16-14(17)12-4-2-3-5-13(12)18-15/h2-9,15H,1H3,(H,16,17)
InChIKeyNAUIKHQOPHSUKM-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.82
Rot. Bonds1

About 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one

2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 2844986) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID2844986
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCc1ccc(C2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C15H13NO2/c1-10-6-8-11(9-7-10)15-16-14(17)12-4-2-3-5-13(12)18-15/h2-9,15H,1H3,(H,16,17)
InChIKeyNAUIKHQOPHSUKM-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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RO 116 1148
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2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
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2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
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4-(Spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 44254503
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
N,N-Diethyl-2-hydroxy-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
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(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 2844986) is 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is Cc1ccc(C2NC(=O)c3ccccc3O2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is NAUIKHQOPHSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-6-8-11(9-7-10)15-16-14(17)12-4-2-3-5-13(12)18-15/h2-9,15H,1H3,(H,16,17).
What are the key properties of 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 239.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 2844986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).