N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide

C27H17NO3 — CID 141027616

IUPACN-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide
SMILESO=C(c1ccccc1)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C27H17NO3/c29-25(17-8-2-1-3-9-17)18-10-6-11-19(16-18)28-27(31)23-15-7-14-21-20-12-4-5-13-22(20)26(30)24(21)23/h1-16H,(H,28,31)
InChIKeyQCXMJBIYYHURDG-UHFFFAOYSA-N
MW403.44 g/mol
LogP5.38
Rot. Bonds4

About N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide

N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide (PubChem CID 141027616) has the molecular formula C27H17NO3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide
PubChem CID141027616
Molecular FormulaC27H17NO3
Molecular Weight403.44 g/mol
Exact Mass403.12
IUPAC NameN-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide
SMILESO=C(c1ccccc1)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C27H17NO3/c29-25(17-8-2-1-3-9-17)18-10-6-11-19(16-18)28-27(31)23-15-7-14-21-20-12-4-5-13-22(20)26(30)24(21)23/h1-16H,(H,28,31)
InChIKeyQCXMJBIYYHURDG-UHFFFAOYSA-N
XLogP5.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide
CID 11558929
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
9-oxofluorene-1-carboxylate
CID 6928439
2-benzoyl-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841462
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
2-(3-benzoylanilino)ethene-1,1,2-tricarbonitrile
CID 168606423
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide
CID 174385428

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide?
The IUPAC name of N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide (CID 141027616) is N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide.
What is the SMILES notation for N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide?
The canonical SMILES for N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide is O=C(c1ccccc1)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1.
What is the InChIKey of N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide?
The InChIKey is QCXMJBIYYHURDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO3/c29-25(17-8-2-1-3-9-17)18-10-6-11-19(16-18)28-27(31)23-15-7-14-21-20-12-4-5-13-22(20)26(30)24(21)23/h1-16H,(H,28,31).
What are the key properties of N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide?
N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide is sourced from PubChem (CID 141027616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).