3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C23H16ClNO2 — CID 3713625

IUPAC3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2C(C(=O)N1c1cccc(Cl)c1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16ClNO2/c24-17-12-7-13-18(14-17)25-21(26)19-20(22(25)27)23(19,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19-20H
InChIKeyXZKMCCXWLAUMQG-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.45
Rot. Bonds3

About 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 3713625) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID3713625
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2C(C(=O)N1c1cccc(Cl)c1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16ClNO2/c24-17-12-7-13-18(14-17)25-21(26)19-20(22(25)27)23(19,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19-20H
InChIKeyXZKMCCXWLAUMQG-UHFFFAOYSA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R,6R,8R,12R)-4,10-bis(3-chlorophenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 124766453
(1R,2R,6R,7R)-4-(3-chlorophenyl)-8,9-bis(4-methylphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 124908986
1,7,8,9,10,10-hexachloro-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3127128
methyl (3R,3aR,6aS)-5-(3-chlorophenyl)-4,6-dioxo-3-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 139255988
methyl (1R,3aR,6aR)-3,3-bis(3-chlorophenyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1-carboxylate
CID 126198205
(1S,2R,6R,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98173936
(1S,2R,6S,7S)-4-(3-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119677
(3R)-5-(3-chlorophenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
CID 1329982
(3aR,4S,7R,7aR)-2-(3-chlorophenyl)-7a-methyl-4,7-diphenyl-4,7-dihydro-3aH-isoindole-1,3-dione
CID 100871134
(15R,19R)-17-(3-chlorophenyl)-1-[(1S)-1-hydroxyethyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 6547786
(1R,2R,6S,7R)-4-(3-chlorophenyl)-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 99747445
(1R,2R,6R,7R)-1,7,8,9,10,10-hexachloro-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124677661

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 3713625) is 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2C(C(=O)N1c1cccc(Cl)c1)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is XZKMCCXWLAUMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO2/c24-17-12-7-13-18(14-17)25-21(26)19-20(22(25)27)23(19,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19-20H.
What are the key properties of 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 373.84 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 3713625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).