4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide

C14H10F2N2O3 — CID 107334858

IUPAC4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1F
InChIInChI=1S/C14H10F2N2O3/c1-8-4-9(2-3-13(8)16)14(19)17-11-5-10(15)6-12(7-11)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyKOKWHYZJTGKYNM-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.43
Rot. Bonds3

About 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide

4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide (PubChem CID 107334858) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
PubChem CID107334858
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1F
InChIInChI=1S/C14H10F2N2O3/c1-8-4-9(2-3-13(8)16)14(19)17-11-5-10(15)6-12(7-11)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyKOKWHYZJTGKYNM-UHFFFAOYSA-N
XLogP3.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.43
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

4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107335305
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylaniline
CID 80751738
4-(chloromethyl)-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107334780
6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334878
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
CID 107335598
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide (CID 107334858) is 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1F.
What is the InChIKey of 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide?
The InChIKey is KOKWHYZJTGKYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-8-4-9(2-3-13(8)16)14(19)17-11-5-10(15)6-12(7-11)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide?
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide has a molecular weight of 292.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide is sourced from PubChem (CID 107334858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).