N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide

C21H12FNO3 — CID 10783699

IUPACN-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O)c1ccccc1F
InChIInChI=1S/C21H12FNO3/c22-18-8-4-3-7-16(18)21(26)23-12-9-10-15-17(11-12)13-5-1-2-6-14(13)19(24)20(15)25/h1-11H,(H,23,26)
InChIKeyCWUWDYQQSBBGHE-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.12
Rot. Bonds2

About N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide

N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide (PubChem CID 10783699) has the molecular formula C21H12FNO3 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide
PubChem CID10783699
Molecular FormulaC21H12FNO3
Molecular Weight345.33 g/mol
Exact Mass345.08
IUPAC NameN-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O)c1ccccc1F
InChIInChI=1S/C21H12FNO3/c22-18-8-4-3-7-16(18)21(26)23-12-9-10-15-17(11-12)13-5-1-2-6-14(13)19(24)20(15)25/h1-11H,(H,23,26)
InChIKeyCWUWDYQQSBBGHE-UHFFFAOYSA-N
XLogP4.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(1,3,4-trioxoisoquinolin-7-yl)benzamide
CID 58662508
2-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662492
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 2232250
N-(3-chloro-4-fluorophenyl)-9-oxofluorene-1-carboxamide
CID 25234468
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
CID 7533072
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide?
The IUPAC name of N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide (CID 10783699) is N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide is O=C(Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O)c1ccccc1F.
What is the InChIKey of N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide?
The InChIKey is CWUWDYQQSBBGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FNO3/c22-18-8-4-3-7-16(18)21(26)23-12-9-10-15-17(11-12)13-5-1-2-6-14(13)19(24)20(15)25/h1-11H,(H,23,26).
What are the key properties of N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide?
N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide has a molecular weight of 345.33 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 10783699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).