5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide

C20H14F2N2O3 — CID 15946131

IUPAC5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide
SMILESCc1cccc(-c2cc(F)ccc2NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C20H14F2N2O3/c1-12-3-2-4-13(9-12)16-10-14(21)5-7-18(16)23-20(25)17-11-15(22)6-8-19(17)24(26)27/h2-11H,1H3,(H,23,25)
InChIKeyUAMIEGDFNVNDNG-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.10
Rot. Bonds4

About 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide

5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide (PubChem CID 15946131) has the molecular formula C20H14F2N2O3 and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide
PubChem CID15946131
Molecular FormulaC20H14F2N2O3
Molecular Weight368.34 g/mol
Exact Mass368.10
IUPAC Name5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide
SMILESCc1cccc(-c2cc(F)ccc2NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C20H14F2N2O3/c1-12-3-2-4-13(9-12)16-10-14(21)5-7-18(16)23-20(25)17-11-15(22)6-8-19(17)24(26)27/h2-11H,1H3,(H,23,25)
InChIKeyUAMIEGDFNVNDNG-UHFFFAOYSA-N
XLogP5.10
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
CID 60875450
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
2-amino-4-fluoro-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912695
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid
CID 69316354

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide?
The IUPAC name of 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide (CID 15946131) is 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide.
What is the SMILES notation for 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide?
The canonical SMILES for 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide is Cc1cccc(-c2cc(F)ccc2NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide?
The InChIKey is UAMIEGDFNVNDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O3/c1-12-3-2-4-13(9-12)16-10-14(21)5-7-18(16)23-20(25)17-11-15(22)6-8-19(17)24(26)27/h2-11H,1H3,(H,23,25).
What are the key properties of 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide?
5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide has a molecular weight of 368.34 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 15946131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).