2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one

C14H7BrClNO2 — CID 46838144

IUPAC2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2Br)nc2cccc(Cl)c12
InChIInChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
InChIKeyWXWVDINGZQKMMS-UHFFFAOYSA-N
MW336.57 g/mol
LogP4.27
Rot. Bonds1

About 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one

2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one (PubChem CID 46838144) has the molecular formula C14H7BrClNO2 and a molecular weight of 336.57 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one
PubChem CID46838144
Molecular FormulaC14H7BrClNO2
Molecular Weight336.57 g/mol
Exact Mass334.93
IUPAC Name2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2Br)nc2cccc(Cl)c12
InChIInChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
InChIKeyWXWVDINGZQKMMS-UHFFFAOYSA-N
XLogP4.27
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromophenyl)-4H-3,1-benzoxazin-4-one
CID 627327
2-(2-chlorophenyl)-8-methyl-4H-3,1-benzoxazin-4-one
CID 694916
2-(3-Chlorophenyl)-4H-3,1-benzoxazin-4-one
CID 702833
7-Chloro-2-(2-chlorophenyl)-4h-3,1-benzoxazin-4-one
CID 294661
2-(2-bromophenyl)-4H-3,1-benzoxazin-4-one
CID 695642
7-chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-one
CID 709886
2-(2-Bromophenyl)-7-chloro-3,1-benzoxazin-4-one
CID 695643
2-(4-Chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one
CID 708458
2-(3-bromophenyl)-4H-3,1-benzoxazin-4-one
CID 695639
7-chloro-2-(2-methylphenyl)-4H-3,1-benzoxazin-4-one
CID 292872
5-Chloro-2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one
CID 46838142
5-Chloro-2-(2-chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one
CID 46838143

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one (CID 46838144) is 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one is O=c1oc(-c2ccccc2Br)nc2cccc(Cl)c12.
What is the InChIKey of 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one?
The InChIKey is WXWVDINGZQKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H.
What are the key properties of 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one?
2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one has a molecular weight of 336.57 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one is sourced from PubChem (CID 46838144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).