3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide

C12H16FN5O — CID 167968472

IUPAC3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](CN=[N+]=[N-])NCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H16FN5O/c1-9(8-16-18-14)15-7-6-12(19)17-11-4-2-10(13)3-5-11/h2-5,9,15H,6-8H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyWZIJMOUKMABLOX-VIFPVBQESA-N
MW265.29 g/mol
LogP2.44
Rot. Bonds7

About 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide

3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide (PubChem CID 167968472) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide
PubChem CID167968472
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC Name3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](CN=[N+]=[N-])NCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H16FN5O/c1-9(8-16-18-14)15-7-6-12(19)17-11-4-2-10(13)3-5-11/h2-5,9,15H,6-8H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyWZIJMOUKMABLOX-VIFPVBQESA-N
XLogP2.44
TPSA89.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)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

methyl 3-azido-2-(4-fluoroanilino)propanoate
CID 66426879
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 7432118
N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 2832938
3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
CID 109013160
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
4-azido-N-(4-methylsulfanylphenyl)butanamide
CID 42611968
2-azido-N-(3-fluoro-4-methylphenyl)acetamide
CID 52940377
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide (CID 167968472) is 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide is C[C@@H](CN=[N+]=[N-])NCCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide?
The InChIKey is WZIJMOUKMABLOX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16FN5O/c1-9(8-16-18-14)15-7-6-12(19)17-11-4-2-10(13)3-5-11/h2-5,9,15H,6-8H2,1H3,(H,17,19)/t9-/m0/s1.
What are the key properties of 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide?
3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide has a molecular weight of 265.29 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-azidopropan-2-yl]amino]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 167968472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).