(2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C16H14ClNO2 — CID 3780804

IUPAC(2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCC1COc2ccccc2N1C(=O)c1ccccc1Cl
InChIInChI=1S/C16H14ClNO2/c1-11-10-20-15-9-5-4-8-14(15)18(11)16(19)12-6-2-3-7-13(12)17/h2-9,11H,10H2,1H3
InChIKeyZQFFBZTYTNUOFE-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.77
Rot. Bonds1

About (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 3780804) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID3780804
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCC1COc2ccccc2N1C(=O)c1ccccc1Cl
InChIInChI=1S/C16H14ClNO2/c1-11-10-20-15-9-5-4-8-14(15)18(11)16(19)12-6-2-3-7-13(12)17/h2-9,11H,10H2,1H3
InChIKeyZQFFBZTYTNUOFE-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 3780804) is (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is CC1COc2ccccc2N1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is ZQFFBZTYTNUOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11-10-20-15-9-5-4-8-14(15)18(11)16(19)12-6-2-3-7-13(12)17/h2-9,11H,10H2,1H3.
What are the key properties of (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 287.75 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 3780804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).