N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide

C20H9Cl2N3O6 — CID 2817538

IUPACN-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O
InChIInChI=1S/C20H9Cl2N3O6/c21-9-1-4-17(16(22)5-9)23-20(27)15-8-11(25(30)31)7-14-18(15)12-3-2-10(24(28)29)6-13(12)19(14)26/h1-8H,(H,23,27)
InChIKeyMBCQEKVKDAUAGP-UHFFFAOYSA-N
MW458.21 g/mol
LogP5.27
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide

N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide (PubChem CID 2817538) has the molecular formula C20H9Cl2N3O6 and a molecular weight of 458.21 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide
PubChem CID2817538
Molecular FormulaC20H9Cl2N3O6
Molecular Weight458.21 g/mol
Exact Mass456.99
IUPAC NameN-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O
InChIInChI=1S/C20H9Cl2N3O6/c21-9-1-4-17(16(22)5-9)23-20(27)15-8-11(25(30)31)7-14-18(15)12-3-2-10(24(28)29)6-13(12)19(14)26/h1-8H,(H,23,27)
InChIKeyMBCQEKVKDAUAGP-UHFFFAOYSA-N
XLogP5.27
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.21
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
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5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide
CID 11440508
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CID 3976905
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
[4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] prop-2-enoate
CID 14126819

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide (CID 2817538) is N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide?
The InChIKey is MBCQEKVKDAUAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9Cl2N3O6/c21-9-1-4-17(16(22)5-9)23-20(27)15-8-11(25(30)31)7-14-18(15)12-3-2-10(24(28)29)6-13(12)19(14)26/h1-8H,(H,23,27).
What are the key properties of N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide?
N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide has a molecular weight of 458.21 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide is sourced from PubChem (CID 2817538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).