5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one

C15H13ClN2O — CID 15585559

IUPAC5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
SMILESO=C1NCC(c2cccc(Cl)c2)c2ccccc2N1
InChIInChI=1S/C15H13ClN2O/c16-11-5-3-4-10(8-11)13-9-17-15(19)18-14-7-2-1-6-12(13)14/h1-8,13H,9H2,(H2,17,18,19)
InChIKeyHFQCEMGGYISMTH-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.61
Rot. Bonds1

About 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one

5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one (PubChem CID 15585559) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
PubChem CID15585559
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
SMILESO=C1NCC(c2cccc(Cl)c2)c2ccccc2N1
InChIInChI=1S/C15H13ClN2O/c16-11-5-3-4-10(8-11)13-9-17-15(19)18-14-7-2-1-6-12(13)14/h1-8,13H,9H2,(H2,17,18,19)
InChIKeyHFQCEMGGYISMTH-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-Chlorobenzyl)-N'-phenylurea
CID 4150009
1-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-Benzyl-3-(2,5-dichlorophenyl)urea
CID 234245
1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
1-{3-[(3,5-Dichlorobenzyl)amino]propyl}-3-Phenylurea
CID 57339424
1-(4-Chlorophenyl)-3-(4-methylbenzyl)urea
CID 2337855
1-(4-Chlorophenyl)-3-phenethylurea
CID 482058
N-(3-chlorophenyl)-N'-(2-phenylethyl)urea
CID 791966
N-benzyl-N'-(4-chlorophenyl)-N-methylurea
CID 730303
N-(4-Chlorophenyl)-N'-(2-methylphenyl)urea
CID 2787282
3-(4-Chloro-2-methylphenyl)-1,1-dibenzylurea
CID 4295485
3-(4-Chloro-2-methylphenyl)-1,1-dibutylurea
CID 4347087

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one (CID 15585559) is 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one is O=C1NCC(c2cccc(Cl)c2)c2ccccc2N1.
What is the InChIKey of 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one?
The InChIKey is HFQCEMGGYISMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-11-5-3-4-10(8-11)13-9-17-15(19)18-14-7-2-1-6-12(13)14/h1-8,13H,9H2,(H2,17,18,19).
What are the key properties of 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one?
5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one has a molecular weight of 272.74 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one is sourced from PubChem (CID 15585559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).