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

C21H15ClN2O2 — CID 67789785

IUPAC7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1c1ccccc1O
InChIInChI=1S/C21H15ClN2O2/c22-14-10-11-17-16(12-14)19(13-6-2-1-3-7-13)24-20(21(26)23-17)15-8-4-5-9-18(15)25/h1-12,20,25H,(H,23,26)
InChIKeyUWJYKYIDMCQKBB-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.58
Rot. Bonds2

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

7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 67789785) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID67789785
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1c1ccccc1O
InChIInChI=1S/C21H15ClN2O2/c22-14-10-11-17-16(12-14)19(13-6-2-1-3-7-13)24-20(21(26)23-17)15-8-4-5-9-18(15)25/h1-12,20,25H,(H,23,26)
InChIKeyUWJYKYIDMCQKBB-UHFFFAOYSA-N
XLogP4.58
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen
CID 159104531
(3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 3032960
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-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 3-phenylpropanoate
CID 13307220
7-chloro-3-(2-methylsulfanylethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 15556523
3-benzyl-7-chloro-5-(4-hydroxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;2-methylpropane
CID 158855296
benzyl N-[(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
CID 67082261
3-benzyl-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 139413985
7-chloro-3-(2-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 46947236

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 67789785) is 7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1c1ccccc1O.
What is the InChIKey of 7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is UWJYKYIDMCQKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-14-10-11-17-16(12-14)19(13-6-2-1-3-7-13)24-20(21(26)23-17)15-8-4-5-9-18(15)25/h1-12,20,25H,(H,23,26).
What are the key properties of 7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 362.82 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 67789785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).