4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide

C9H10FN3O3 — CID 143132680

IUPAC4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])c(F)cc1NC
InChIInChI=1S/C9H10FN3O3/c1-11-7-4-6(10)8(13(15)16)3-5(7)9(14)12-2/h3-4,11H,1-2H3,(H,12,14)
InChIKeyFBRZUKPQLJNDQT-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.14
Rot. Bonds3

About 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide

4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide (PubChem CID 143132680) has the molecular formula C9H10FN3O3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide
PubChem CID143132680
Molecular FormulaC9H10FN3O3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])c(F)cc1NC
InChIInChI=1S/C9H10FN3O3/c1-11-7-4-6(10)8(13(15)16)3-5(7)9(14)12-2/h3-4,11H,1-2H3,(H,12,14)
InChIKeyFBRZUKPQLJNDQT-UHFFFAOYSA-N
XLogP1.14
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.14
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-tert-butyl-2,4-difluoro-5-nitrobenzamide
CID 64592660
4-fluoro-5-(methylamino)-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 62170865
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
5-fluoro-4-iodo-N-methyl-2-nitroaniline
CID 66100620
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
CID 62165049
N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 55042740
1-(2-chloro-4-fluoro-5-nitrophenyl)ethanone
CID 18314484
N-methyl-5-methylsulfanyl-2-nitrobenzamide
CID 47128313
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
4-fluoro-5-(methylamino)-2-nitro-N-pyrimidin-2-ylbenzamide
CID 62172631
2,4-difluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-nitrobenzamide
CID 107866615

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide (CID 143132680) is 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])c(F)cc1NC.
What is the InChIKey of 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide?
The InChIKey is FBRZUKPQLJNDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3/c1-11-7-4-6(10)8(13(15)16)3-5(7)9(14)12-2/h3-4,11H,1-2H3,(H,12,14).
What are the key properties of 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide?
4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide has a molecular weight of 227.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 143132680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).