2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide

C11H12FN3O2 — CID 81088111

IUPAC2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H12FN3O2/c1-17-6-10(14)11(16)15-8-2-3-9(12)7(4-8)5-13/h2-4,10H,6,14H2,1H3,(H,15,16)
InChIKeyDAZLUTJMXORSHG-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.61
Rot. Bonds4

About 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide

2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide (PubChem CID 81088111) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide
PubChem CID81088111
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H12FN3O2/c1-17-6-10(14)11(16)15-8-2-3-9(12)7(4-8)5-13/h2-4,10H,6,14H2,1H3,(H,15,16)
InChIKeyDAZLUTJMXORSHG-UHFFFAOYSA-N
XLogP0.61
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(3-cyano-4-fluorophenyl)butanamide
CID 62855843
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylpentanamide
CID 113440983
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
1-(3-cyano-4-fluorophenyl)-3-(1-methoxypropan-2-yl)thiourea
CID 115609918
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-N-(2-cyano-3-fluorophenyl)-3-methoxypropanamide
CID 81081464
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
methyl 2-bromo-3-(3-cyano-4-fluoroanilino)propanoate
CID 103247896

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide (CID 81088111) is 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide?
The InChIKey is DAZLUTJMXORSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-17-6-10(14)11(16)15-8-2-3-9(12)7(4-8)5-13/h2-4,10H,6,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide?
2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide has a molecular weight of 237.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyano-4-fluorophenyl)-3-methoxypropanamide is sourced from PubChem (CID 81088111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).