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

C10H13FN2O2 — CID 16793944

IUPACN-(3-amino-4-fluorophenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C10H13FN2O2/c1-6(15-2)10(14)13-7-3-4-8(11)9(12)5-7/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyAMQKKMQOWLNNCX-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.38
Rot. Bonds3

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

N-(3-amino-4-fluorophenyl)-2-methoxypropanamide (PubChem CID 16793944) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-methoxypropanamide
PubChem CID16793944
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN-(3-amino-4-fluorophenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C10H13FN2O2/c1-6(15-2)10(14)13-7-3-4-8(11)9(12)5-7/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyAMQKKMQOWLNNCX-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560272
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide
CID 61289045
N-(3-amino-4-fluorophenyl)-2-butan-2-ylsulfanylpropanamide
CID 43188452
(3-amino-4-fluorophenyl)urea
CID 16776521
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 43093514
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
methyl 2-(3-amino-4-fluorophenoxy)propanoate
CID 66717597
methyl (2R)-2-(3-amino-4-fluorophenoxy)propanoate
CID 170783565
N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956094
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-methoxypropanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-methoxypropanamide (CID 16793944) is N-(3-amino-4-fluorophenyl)-2-methoxypropanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-methoxypropanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-methoxypropanamide is COC(C)C(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-methoxypropanamide?
The InChIKey is AMQKKMQOWLNNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(15-2)10(14)13-7-3-4-8(11)9(12)5-7/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-methoxypropanamide?
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide has a molecular weight of 212.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-methoxypropanamide is sourced from PubChem (CID 16793944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).