7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride

C15H12Cl2N2O — CID 163994713

IUPAC7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
SMILESCl.O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H11ClN2O.ClH/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10;/h1-8H,9H2,(H,18,19);1H
InChIKeyUDRHOTUHNTZFBR-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.55
Rot. Bonds1

About 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride

7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride (PubChem CID 163994713) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride.

Molecular Properties

Compound Name7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
PubChem CID163994713
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
SMILESCl.O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H11ClN2O.ClH/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10;/h1-8H,9H2,(H,18,19);1H
InChIKeyUDRHOTUHNTZFBR-UHFFFAOYSA-N
XLogP3.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
7-chloro-5-(3-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 12522161
7-(6-chloro-3-pyridinyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 167814327
7,9-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 24788421
7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69019508
7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 4506
Nitrazepam sodium
CID 176507617
5-benzyl-7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 154109464
7-fluoro-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161006111
7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161069194
6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 24788422
2-[4-(7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenoxy]acetohydrazide
CID 12517313

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride?
The IUPAC name of 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride (CID 163994713) is 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride.
What is the SMILES notation for 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride?
The canonical SMILES for 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride is Cl.O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride?
The InChIKey is UDRHOTUHNTZFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O.ClH/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10;/h1-8H,9H2,(H,18,19);1H.
What are the key properties of 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride?
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride has a molecular weight of 307.18 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride is sourced from PubChem (CID 163994713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).