7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C16H13ClN2O2 — CID 12947025

IUPAC7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClN2O2/c1-21-14-5-3-2-4-11(14)16-12-8-10(17)6-7-13(12)19-15(20)9-18-16/h2-8H,9H2,1H3,(H,19,20)
InChIKeyVMRHOEBUTQIEKP-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.14
Rot. Bonds2

About 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 12947025) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID12947025
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClN2O2/c1-21-14-5-3-2-4-11(14)16-12-8-10(17)6-7-13(12)19-15(20)9-18-16/h2-8H,9H2,1H3,(H,19,20)
InChIKeyVMRHOEBUTQIEKP-UHFFFAOYSA-N
XLogP3.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4'-Hydroxydesmethyldiazepam
CID 87025
N-(4-chlorophenyl)-N'-(4-methoxybenzyl)ethanediamide
CID 2281328
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-phenoxyethyl)-5-phenyl-
CID 213946
N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
CID 2532920
N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
CID 15990749
7-Chloro-1,3-dihydro-5-(3-methoxyphenyl)-2H-1,4-benzodiazepin-2-one
CID 12522161
7-Chloro-5-(4-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 15162781
3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-(o-fluorophenoxy)-1-methyl-
CID 44193
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-phenoxypropyl)-5-phenyl-
CID 213947
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-5-phenyl-1-(2-(p-tolyloxy)ethyl)-
CID 213948
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(2-(p-aminophenoxy)ethyl)-7-chloro-5-phenyl-
CID 213949
2-(6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1(2H)-yl)-N-(4-methoxybenzyl)acetamide
CID 16028598

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 12947025) is 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is COc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is VMRHOEBUTQIEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-14-5-3-2-4-11(14)16-12-8-10(17)6-7-13(12)19-15(20)9-18-16/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 300.75 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 12947025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).