N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide

C22H17NO2 — CID 11558929

IUPACN-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C22H17NO2/c1-13-7-5-8-14(2)20(13)23-22(25)18-12-6-11-16-15-9-3-4-10-17(15)21(24)19(16)18/h3-12H,1-2H3,(H,23,25)
InChIKeyVHVCTWPJCTWWFY-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.77
Rot. Bonds2

About N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide

N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide (PubChem CID 11558929) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide
PubChem CID11558929
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC NameN-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C22H17NO2/c1-13-7-5-8-14(2)20(13)23-22(25)18-12-6-11-16-15-9-3-4-10-17(15)21(24)19(16)18/h3-12H,1-2H3,(H,23,25)
InChIKeyVHVCTWPJCTWWFY-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide
CID 69104756
9-oxofluorene-1-carboxylate
CID 6928439
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
N-methyl-9,10-dioxoanthracene-1-carboxamide
CID 71365214
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide
CID 13439298
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
(2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid
CID 25234415
N-(3-chloro-4-fluorophenyl)-9-oxofluorene-1-carboxamide
CID 25234468
N-[2-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]-2-methylbenzamide
CID 53374197
9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
CID 11696276
N-(2,6-dimethylphenyl)-2-isocyanatobenzamide
CID 169352742

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide (CID 11558929) is N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide is Cc1cccc(C)c1NC(=O)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide?
The InChIKey is VHVCTWPJCTWWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-13-7-5-8-14(2)20(13)23-22(25)18-12-6-11-16-15-9-3-4-10-17(15)21(24)19(16)18/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide?
N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide is sourced from PubChem (CID 11558929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).