N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide

C21H14BrNO3 — CID 1214724

IUPACN-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide
SMILESCOc1cc(Br)ccc1NC(=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C21H14BrNO3/c1-26-18-11-12(22)9-10-17(18)23-21(25)16-8-4-7-15-19(16)13-5-2-3-6-14(13)20(15)24/h2-11H,1H3,(H,23,25)
InChIKeyONAAUICIRXYUQK-UHFFFAOYSA-N
MW408.25 g/mol
LogP4.92
Rot. Bonds3

About N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide

N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide (PubChem CID 1214724) has the molecular formula C21H14BrNO3 and a molecular weight of 408.25 g/mol. Its IUPAC name is N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide
PubChem CID1214724
Molecular FormulaC21H14BrNO3
Molecular Weight408.25 g/mol
Exact Mass407.02
IUPAC NameN-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide
SMILESCOc1cc(Br)ccc1NC(=O)c1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C21H14BrNO3/c1-26-18-11-12(22)9-10-17(18)23-21(25)16-8-4-7-15-19(16)13-5-2-3-6-14(13)20(15)24/h2-11H,1H3,(H,23,25)
InChIKeyONAAUICIRXYUQK-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
CID 19168688
N-(4-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 2174953
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide (CID 1214724) is N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide is COc1cc(Br)ccc1NC(=O)c1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide?
The InChIKey is ONAAUICIRXYUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO3/c1-26-18-11-12(22)9-10-17(18)23-21(25)16-8-4-7-15-19(16)13-5-2-3-6-14(13)20(15)24/h2-11H,1H3,(H,23,25).
What are the key properties of N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide?
N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide has a molecular weight of 408.25 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide is sourced from PubChem (CID 1214724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).