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

C17H14BrClN2O — CID 3075888

IUPAC7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one
SMILESCC1N=C(c2ccccc2Cl)c2cc(Br)ccc2N(C)C1=O
InChIInChI=1S/C17H14BrClN2O/c1-10-17(22)21(2)15-8-7-11(18)9-13(15)16(20-10)12-5-3-4-6-14(12)19/h3-10H,1-2H3
InChIKeyIFBWQIMNVMDGCK-UHFFFAOYSA-N
MW377.67 g/mol
LogP4.30
Rot. Bonds1

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

7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one (PubChem CID 3075888) has the molecular formula C17H14BrClN2O and a molecular weight of 377.67 g/mol. Its IUPAC name is 7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one
PubChem CID3075888
Molecular FormulaC17H14BrClN2O
Molecular Weight377.67 g/mol
Exact Mass376.00
IUPAC Name7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one
SMILESCC1N=C(c2ccccc2Cl)c2cc(Br)ccc2N(C)C1=O
InChIInChI=1S/C17H14BrClN2O/c1-10-17(22)21(2)15-8-7-11(18)9-13(15)16(20-10)12-5-3-4-6-14(12)19/h3-10H,1-2H3
InChIKeyIFBWQIMNVMDGCK-UHFFFAOYSA-N
XLogP4.30
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diazepam
CID 3016
Phenazepam
CID 40113
Chlorodiazepam
CID 76168
Metaclazepam
CID 71272
3-Hydroxyphenazepam
CID 125820
7-Bromo-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 632515
1,4-Benzodiazp2-ON,1-ET-5-PH-7CL
CID 623112
7-Bromo-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 627432
7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 625577
Diazepam-d5
CID 45358967
rac-7-bromo-5-(2-chlorophenyl)-3-ethoxy-1H-benzo[e][1,4]diazepin-2(3H)-one
CID 5089026
(3S)-7-bromo-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 57938606

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one (CID 3075888) is 7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one is CC1N=C(c2ccccc2Cl)c2cc(Br)ccc2N(C)C1=O.
What is the InChIKey of 7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is IFBWQIMNVMDGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O/c1-10-17(22)21(2)15-8-7-11(18)9-13(15)16(20-10)12-5-3-4-6-14(12)19/h3-10H,1-2H3.
What are the key properties of 7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one?
7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 377.67 g/mol, XLogP of 4.30, 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)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 3075888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).