N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide

C10H12FN3O3 — CID 55097088

IUPACN-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-6(12-2)10(15)13-8-4-3-7(11)5-9(8)14(16)17/h3-6,12H,1-2H3,(H,13,15)
InChIKeyZFCXXTKGXRUMFI-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.28
Rot. Bonds4

About N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide

N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide (PubChem CID 55097088) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
PubChem CID55097088
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC NameN-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-6(12-2)10(15)13-8-4-3-7(11)5-9(8)14(16)17/h3-6,12H,1-2H3,(H,13,15)
InChIKeyZFCXXTKGXRUMFI-UHFFFAOYSA-N
XLogP1.28
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.28
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'}

Analyze N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 61179807
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 61179993
2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 76887834
(2S,3S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylpentanamide
CID 61179992
(4-fluoro-2-nitrophenyl)urea
CID 69476086
3-amino-4-(4-fluoro-2-nitroanilino)-4-oxobutanoic acid
CID 64896853
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)hexanamide
CID 107143998
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
(2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95598671
3-(4-fluoro-2-nitroanilino)-2-methylbutanoic acid
CID 113415980
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide (CID 55097088) is N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide?
The InChIKey is ZFCXXTKGXRUMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-6(12-2)10(15)13-8-4-3-7(11)5-9(8)14(16)17/h3-6,12H,1-2H3,(H,13,15).
What are the key properties of N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide?
N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide has a molecular weight of 241.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 55097088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).