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

C17H16Cl2N2O2 — CID 163511502

IUPAC7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESO=C1CCN(CCO)c2ccc(Cl)cc2N1c1ccccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-12-5-6-15-16(11-12)21(14-4-2-1-3-13(14)19)17(23)7-8-20(15)9-10-22/h1-6,11,22H,7-10H2
InChIKeyDDBZKODCYYGHAD-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.86
Rot. Bonds3

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

7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 163511502) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID163511502
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESO=C1CCN(CCO)c2ccc(Cl)cc2N1c1ccccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-12-5-6-15-16(11-12)21(14-4-2-1-3-13(14)19)17(23)7-8-20(15)9-10-22/h1-6,11,22H,7-10H2
InChIKeyDDBZKODCYYGHAD-UHFFFAOYSA-N
XLogP3.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-7-chloro-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84635046
1-tert-butyl-3-(2,5-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 107653735
5-(3-aminopropyl)-7-chloro-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 84640561
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
1-acetyl-3-(2,4-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 56697545
2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84629565
2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione
CID 168517760
7-chloro-1-pentyl-2,3-dihydroquinolin-4-one
CID 67834953
3-(1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-5-yl)propanoic acid
CID 84633049
1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 10734075

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one (CID 163511502) is 7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one is O=C1CCN(CCO)c2ccc(Cl)cc2N1c1ccccc1Cl.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is DDBZKODCYYGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-12-5-6-15-16(11-12)21(14-4-2-1-3-13(14)19)17(23)7-8-20(15)9-10-22/h1-6,11,22H,7-10H2.
What are the key properties of 7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 351.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chlorophenyl)-1-(2-hydroxyethyl)-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 163511502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).