N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide

C11H14FN3O3 — CID 81310912

IUPACN-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-13-7-3-6-10(16)14-11-8(12)4-2-5-9(11)15(17)18/h2,4-5,13H,3,6-7H2,1H3,(H,14,16)
InChIKeyQNPVRLWCCCCFRJ-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.67
Rot. Bonds6

About N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide

N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide (PubChem CID 81310912) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide
PubChem CID81310912
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC NameN-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-13-7-3-6-10(16)14-11-8(12)4-2-5-9(11)15(17)18/h2,4-5,13H,3,6-7H2,1H3,(H,14,16)
InChIKeyQNPVRLWCCCCFRJ-UHFFFAOYSA-N
XLogP1.67
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
CID 81310195
3-(tert-butylamino)-N-(2-fluoro-6-nitrophenyl)propanamide
CID 81311088
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
N-(2,4-difluoro-5-nitrophenyl)-4-(methylamino)butanamide
CID 54925209
4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310551
2-[2-(2-fluoro-6-nitroanilino)-2-oxoethoxy]acetic acid
CID 81309953
2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide
CID 81307584
3-(2-fluoro-6-nitroanilino)propanoic acid
CID 23111109
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670737
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744
N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103029215

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide (CID 81310912) is N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide?
The InChIKey is QNPVRLWCCCCFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-13-7-3-6-10(16)14-11-8(12)4-2-5-9(11)15(17)18/h2,4-5,13H,3,6-7H2,1H3,(H,14,16).
What are the key properties of N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide?
N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide has a molecular weight of 255.25 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 81310912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).