5-benzyl-2-chloro-9-fluorophenanthridin-6-one

C20H13ClFNO — CID 134974780

IUPAC5-benzyl-2-chloro-9-fluorophenanthridin-6-one
SMILESO=c1c2ccc(F)cc2c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H13ClFNO/c21-14-6-9-19-18(10-14)17-11-15(22)7-8-16(17)20(24)23(19)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyVHDIYLKXKQORCJ-UHFFFAOYSA-N
MW337.78 g/mol
LogP5.00
Rot. Bonds2

About 5-benzyl-2-chloro-9-fluorophenanthridin-6-one

5-benzyl-2-chloro-9-fluorophenanthridin-6-one (PubChem CID 134974780) has the molecular formula C20H13ClFNO and a molecular weight of 337.78 g/mol. Its IUPAC name is 5-benzyl-2-chloro-9-fluorophenanthridin-6-one.

Molecular Properties

Compound Name5-benzyl-2-chloro-9-fluorophenanthridin-6-one
PubChem CID134974780
Molecular FormulaC20H13ClFNO
Molecular Weight337.78 g/mol
Exact Mass337.07
IUPAC Name5-benzyl-2-chloro-9-fluorophenanthridin-6-one
SMILESO=c1c2ccc(F)cc2c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H13ClFNO/c21-14-6-9-19-18(10-14)17-11-15(22)7-8-16(17)20(24)23(19)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyVHDIYLKXKQORCJ-UHFFFAOYSA-N
XLogP5.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-8-chlorophenanthridin-6-one
CID 71506154
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
methyl 2-benzyl-6-chloro-4-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxylate
CID 69156801
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
2-benzyl-6-chloro-4-(3-chloro-4-fluorophenyl)-1-oxoisoquinoline-3-carboxylic acid
CID 23060617
ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 69477265
methyl 4-benzoyl-1-benzyl-6-chloro-2-oxoquinoline-3-carboxylate
CID 132536891
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindole-2-carboxylic acid
CID 19914749
3-benzyl-7-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 46101952
3-(1H-benzimidazol-2-yl)-1-benzyl-4,6-dichloroquinolin-2-one
CID 15944646
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-chloro-9-fluorophenanthridin-6-one?
The IUPAC name of 5-benzyl-2-chloro-9-fluorophenanthridin-6-one (CID 134974780) is 5-benzyl-2-chloro-9-fluorophenanthridin-6-one.
What is the SMILES notation for 5-benzyl-2-chloro-9-fluorophenanthridin-6-one?
The canonical SMILES for 5-benzyl-2-chloro-9-fluorophenanthridin-6-one is O=c1c2ccc(F)cc2c2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-chloro-9-fluorophenanthridin-6-one?
The InChIKey is VHDIYLKXKQORCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO/c21-14-6-9-19-18(10-14)17-11-15(22)7-8-16(17)20(24)23(19)12-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 5-benzyl-2-chloro-9-fluorophenanthridin-6-one?
5-benzyl-2-chloro-9-fluorophenanthridin-6-one has a molecular weight of 337.78 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-chloro-9-fluorophenanthridin-6-one is sourced from PubChem (CID 134974780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).