7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen

C15H13ClN2O2 — CID 159104531

IUPAC7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen
SMILESO=[13C]1Nc2ccc(Cl)cc2C(c2ccccc2)=N[13CH]1O.[H][H]
InChIInChI=1S/C15H11ClN2O2.H2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12;/h1-8,15,20H,(H,17,19);1H/i14+1,15+1;
InChIKeyKDSCZKVQMFXNPA-RAGFBUGVSA-N
MW290.72 g/mol
LogP2.69
Rot. Bonds1

About 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen

7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen (PubChem CID 159104531) has the molecular formula C15H13ClN2O2 and a molecular weight of 290.72 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen.

Molecular Properties

Compound Name7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen
PubChem CID159104531
Molecular FormulaC15H13ClN2O2
Molecular Weight290.72 g/mol
Exact Mass290.07
IUPAC Name7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen
SMILESO=[13C]1Nc2ccc(Cl)cc2C(c2ccccc2)=N[13CH]1O.[H][H]
InChIInChI=1S/C15H11ClN2O2.H2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12;/h1-8,15,20H,(H,17,19);1H/i14+1,15+1;
InChIKeyKDSCZKVQMFXNPA-RAGFBUGVSA-N
XLogP2.69
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 3032960
potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride
CID 175366173
acetic acid;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23617880
7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
CID 3676999
7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67789785
7-chloro-5-[2-(chloromethyl)phenyl]-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
CID 166935015
3-hydroxy-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 616119
4-[[(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
CID 644114
(3S)-7-chloro-3-(cyclopropylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 139414077
7-chloro-3-(2-chloroanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 11718187
[(3R)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl acetate
CID 10871620
7-chloro-3-(2-methylsulfanylethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 15556523

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen?
The IUPAC name of 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen (CID 159104531) is 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen.
What is the SMILES notation for 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen?
The canonical SMILES for 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen is O=[13C]1Nc2ccc(Cl)cc2C(c2ccccc2)=N[13CH]1O.[H][H].
What is the InChIKey of 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen?
The InChIKey is KDSCZKVQMFXNPA-RAGFBUGVSA-N. The full InChI is InChI=1S/C15H11ClN2O2.H2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12;/h1-8,15,20H,(H,17,19);1H/i14+1,15+1;.
What are the key properties of 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen?
7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen has a molecular weight of 290.72 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen is sourced from PubChem (CID 159104531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).