3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide

C14H10F2N2O3 — CID 62682016

IUPAC3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H10F2N2O3/c1-17(11-5-3-10(15)4-6-11)14(19)9-2-7-13(18(20)21)12(16)8-9/h2-8H,1H3
InChIKeyCEKONCQWSQQSNI-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.15
Rot. Bonds3

About 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide

3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide (PubChem CID 62682016) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
PubChem CID62682016
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H10F2N2O3/c1-17(11-5-3-10(15)4-6-11)14(19)9-2-7-13(18(20)21)12(16)8-9/h2-8H,1H3
InChIKeyCEKONCQWSQQSNI-UHFFFAOYSA-N
XLogP3.15
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
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

3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
CID 62682180
2-[(3-fluoro-4-nitrobenzoyl)-methylamino]-2-methylpropanoic acid
CID 62818856
3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
CID 106934877
3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 82776222
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
3-fluoro-N-methyl-N-(4-methylpentan-2-yl)-4-nitrobenzamide
CID 62681818
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
3-(4-fluoro-N-methylanilino)-4-nitrobenzoic acid
CID 82769152
N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide
CID 60560008
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680223
N-(2-cyanoethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680558
N-[2-(dimethylamino)ethyl]-3-fluoro-4-nitro-N-propylbenzamide
CID 62682179

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide?
The IUPAC name of 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide (CID 62682016) is 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide.
What is the SMILES notation for 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide?
The canonical SMILES for 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide is CN(C(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide?
The InChIKey is CEKONCQWSQQSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-17(11-5-3-10(15)4-6-11)14(19)9-2-7-13(18(20)21)12(16)8-9/h2-8H,1H3.
What are the key properties of 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide?
3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide has a molecular weight of 292.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 62682016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).