4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide

C11H14FN3O3 — CID 120832941

IUPAC4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide
SMILESCNC(C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-7(13-2)6-14-11(16)9-4-3-8(12)5-10(9)15(17)18/h3-5,7,13H,6H2,1-2H3,(H,14,16)
InChIKeyRHJHWFAMTORCGR-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.07
Rot. Bonds5

About 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide

4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide (PubChem CID 120832941) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide
PubChem CID120832941
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide
SMILESCNC(C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-7(13-2)6-14-11(16)9-4-3-8(12)5-10(9)15(17)18/h3-5,7,13H,6H2,1-2H3,(H,14,16)
InChIKeyRHJHWFAMTORCGR-UHFFFAOYSA-N
XLogP1.07
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.07
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

2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120829397
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
N-[(2S)-1-aminopropan-2-yl]-4-fluoro-2-nitrobenzamide
CID 120506353
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119525524
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
4,5-dimethoxy-N-[2-(methylamino)propyl]-2-nitrobenzamide
CID 120833156
4-[(4-fluoro-2-nitrobenzoyl)amino]-3-methoxybutanoic acid
CID 103152653
4-methoxy-N-[2-(methylamino)propyl]-5-methylsulfanyl-2-nitrobenzamide;hydrochloride
CID 120830990
N-(4-chloro-3-methylbutan-2-yl)-4-fluoro-2-nitrobenzamide
CID 113485000
2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120827594
4-[(4-fluoro-2-nitrobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832365
N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-nitrobenzamide
CID 104858227

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide?
The IUPAC name of 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide (CID 120832941) is 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide is CNC(C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide?
The InChIKey is RHJHWFAMTORCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-7(13-2)6-14-11(16)9-4-3-8(12)5-10(9)15(17)18/h3-5,7,13H,6H2,1-2H3,(H,14,16).
What are the key properties of 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide?
4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide has a molecular weight of 255.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide is sourced from PubChem (CID 120832941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).