7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one

C16H12BrClN2O — CID 632515

IUPAC7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)CN=C(c2ccccc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C16H12BrClN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
InChIKeyGNEZQTPJBDZJGE-UHFFFAOYSA-N
MW363.64 g/mol
LogP3.92
Rot. Bonds1

About 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one

7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one (PubChem CID 632515) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
PubChem CID632515
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)CN=C(c2ccccc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C16H12BrClN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
InChIKeyGNEZQTPJBDZJGE-UHFFFAOYSA-N
XLogP3.92
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one (CID 632515) is 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one is CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Br)ccc21.
What is the InChIKey of 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is GNEZQTPJBDZJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3.
What are the key properties of 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one?
7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 363.64 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 632515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).