7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine

C16H14BrClN2O — CID 142688270

IUPAC7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine
SMILESCOc1cc2c(cc1Br)C(c1ccccc1Cl)=NCCN2
InChIInChI=1S/C16H14BrClN2O/c1-21-15-9-14-11(8-12(15)17)16(20-7-6-19-14)10-4-2-3-5-13(10)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyXUZPMPHIFPQTBR-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.37
Rot. Bonds2

About 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine

7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine (PubChem CID 142688270) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine
PubChem CID142688270
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine
SMILESCOc1cc2c(cc1Br)C(c1ccccc1Cl)=NCCN2
InChIInChI=1S/C16H14BrClN2O/c1-21-15-9-14-11(8-12(15)17)16(20-7-6-19-14)10-4-2-3-5-13(10)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyXUZPMPHIFPQTBR-UHFFFAOYSA-N
XLogP4.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 118224660
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
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[(1E)-1-[5-(2-chlorophenyl)-7-fluoro-8-methoxy-1,2-dihydro-1,4-benzodiazepin-3-ylidene]ethyl]hydrazine
CID 143211386
5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde
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2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 843833
2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 161355740
1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene
CID 16741994
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240364
4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698622
5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135398512
(5-bromo-2-methoxyphenyl)-[2-chloro-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methanethiol
CID 22744812

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine?
The IUPAC name of 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine (CID 142688270) is 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine?
The canonical SMILES for 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine is COc1cc2c(cc1Br)C(c1ccccc1Cl)=NCCN2.
What is the InChIKey of 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine?
The InChIKey is XUZPMPHIFPQTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-21-15-9-14-11(8-12(15)17)16(20-7-6-19-14)10-4-2-3-5-13(10)18/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine?
7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine has a molecular weight of 365.66 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(2-chlorophenyl)-8-methoxy-2,3-dihydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 142688270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).