N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide

C21H12N2O2 — CID 42091649

IUPACN-(3-cyanophenyl)-9-oxofluorene-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1
InChIInChI=1S/C21H12N2O2/c22-12-13-4-3-5-15(10-13)23-21(25)14-8-9-17-16-6-1-2-7-18(16)20(24)19(17)11-14/h1-11H,(H,23,25)
InChIKeyZCBZXVIJSFHCOD-UHFFFAOYSA-N
MW324.34 g/mol
LogP4.02
Rot. Bonds2

About N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide

N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide (PubChem CID 42091649) has the molecular formula C21H12N2O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-9-oxofluorene-2-carboxamide
PubChem CID42091649
Molecular FormulaC21H12N2O2
Molecular Weight324.34 g/mol
Exact Mass324.09
IUPAC NameN-(3-cyanophenyl)-9-oxofluorene-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1
InChIInChI=1S/C21H12N2O2/c22-12-13-4-3-5-15(10-13)23-21(25)14-8-9-17-16-6-1-2-7-18(16)20(24)19(17)11-14/h1-11H,(H,23,25)
InChIKeyZCBZXVIJSFHCOD-UHFFFAOYSA-N
XLogP4.02
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 42064187
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
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N-(3-cyanophenyl)-4-propan-2-ylbenzamide
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CID 62166375
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
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N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695
4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
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CID 62678530

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide (CID 42091649) is N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide is N#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1.
What is the InChIKey of N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide?
The InChIKey is ZCBZXVIJSFHCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O2/c22-12-13-4-3-5-15(10-13)23-21(25)14-8-9-17-16-6-1-2-7-18(16)20(24)19(17)11-14/h1-11H,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide?
N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 42091649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).