7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

C14H11Cl2NO — CID 101467782

IUPAC7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc(C2COc3cc(Cl)ccc3N2)cc1
InChIInChI=1S/C14H11Cl2NO/c15-10-3-1-9(2-4-10)13-8-18-14-7-11(16)5-6-12(14)17-13/h1-7,13,17H,8H2
InChIKeyAWUUCONTZSVPRM-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.54
Rot. Bonds1

About 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 101467782) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID101467782
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc(C2COc3cc(Cl)ccc3N2)cc1
InChIInChI=1S/C14H11Cl2NO/c15-10-3-1-9(2-4-10)13-8-18-14-7-11(16)5-6-12(14)17-13/h1-7,13,17H,8H2
InChIKeyAWUUCONTZSVPRM-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 101467783
(3S)-7-chloro-3-iodo-3,4-dihydro-2H-1,4-benzoxazine
CID 166788539
(7-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84619592
6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837709
(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
CID 7017020
3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 102567383
3-(1,3-benzodioxol-5-yl)-6-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 116837297
3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837206
6-bromo-3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837282
3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837257
2-(1,3-benzodioxol-5-yl)-5-chloro-2,3-dihydro-1,3-benzoxazole
CID 2806671
3-(1H-pyrrol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837233

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 101467782) is 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Clc1ccc(C2COc3cc(Cl)ccc3N2)cc1.
What is the InChIKey of 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is AWUUCONTZSVPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-10-3-1-9(2-4-10)13-8-18-14-7-11(16)5-6-12(14)17-13/h1-7,13,17H,8H2.
What are the key properties of 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 280.15 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 101467782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).