(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone

C15H11ClFNO2 — CID 110639427

IUPAC(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCOc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClFNO2/c16-10-5-6-14-13(9-10)18(7-8-20-14)15(19)11-3-1-2-4-12(11)17/h1-6,9H,7-8H2
InChIKeyCQZSGOGXKHAKGV-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.52
Rot. Bonds1

About (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone

(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone (PubChem CID 110639427) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone
PubChem CID110639427
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCOc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClFNO2/c16-10-5-6-14-13(9-10)18(7-8-20-14)15(19)11-3-1-2-4-12(11)17/h1-6,9H,7-8H2
InChIKeyCQZSGOGXKHAKGV-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110714320
(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 110639332
(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 56587877
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)ethanone
CID 110639441
[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 46195276
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone
CID 110639446
benzyl 6-chloro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 86287947
6-chloro-N,N-diethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639469
(5-chloro-2-fluorophenyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 61150401
6-chloro-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521484
(2-chloro-5-fluoro-3-pyridinyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 103891964
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-phenoxypropan-1-one
CID 110639448

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone (CID 110639427) is (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCOc2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone?
The InChIKey is CQZSGOGXKHAKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-10-5-6-14-13(9-10)18(7-8-20-14)15(19)11-3-1-2-4-12(11)17/h1-6,9H,7-8H2.
What are the key properties of (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone?
(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone has a molecular weight of 291.71 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 110639427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).