1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide

C20H13F2N3O4 — CID 2873591

IUPAC1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1
InChIInChI=1S/C20H13F2N3O4/c21-15-5-1-3-7-17(15)23-19(26)12-9-13(11-14(10-12)25(28)29)20(27)24-18-8-4-2-6-16(18)22/h1-11H,(H,23,26)(H,24,27)
InChIKeyUKXXKWNQCQLOQY-UHFFFAOYSA-N
MW397.34 g/mol
LogP4.38
Rot. Bonds5

About 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide

1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide (PubChem CID 2873591) has the molecular formula C20H13F2N3O4 and a molecular weight of 397.34 g/mol. Its IUPAC name is 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
PubChem CID2873591
Molecular FormulaC20H13F2N3O4
Molecular Weight397.34 g/mol
Exact Mass397.09
IUPAC Name1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1
InChIInChI=1S/C20H13F2N3O4/c21-15-5-1-3-7-17(15)23-19(26)12-9-13(11-14(10-12)25(28)29)20(27)24-18-8-4-2-6-16(18)22/h1-11H,(H,23,26)(H,24,27)
InChIKeyUKXXKWNQCQLOQY-UHFFFAOYSA-N
XLogP4.38
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-bromo-2-fluorophenyl)-3,5-dinitrobenzamide
CID 4159361
3,5-dinitro-N-(2,3,4-trifluorophenyl)benzamide
CID 9095279
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
1-N,3-N-bis(2,3-dimethylphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 3379154
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-[(2-fluorophenyl)carbamothioyl]-3-nitrobenzamide
CID 880113
2,6-difluoro-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 148924135
3-O-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate
CID 7778762
methyl 3-[(2-chlorophenyl)carbamoyl]-5-nitrobenzoate
CID 690578
N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 4949361
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51149919
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]-5-nitrobenzoyl]amino]benzoate
CID 3383146

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide (CID 2873591) is 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide is O=C(Nc1ccccc1F)c1cc(C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide?
The InChIKey is UKXXKWNQCQLOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O4/c21-15-5-1-3-7-17(15)23-19(26)12-9-13(11-14(10-12)25(28)29)20(27)24-18-8-4-2-6-16(18)22/h1-11H,(H,23,26)(H,24,27).
What are the key properties of 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide?
1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide has a molecular weight of 397.34 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide is sourced from PubChem (CID 2873591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).