N-(3-amino-5-fluorophenyl)-3-methoxypropanamide

C10H13FN2O2 — CID 107333846

IUPACN-(3-amino-5-fluorophenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-15-3-2-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3,12H2,1H3,(H,13,14)
InChIKeyOEBQNYKSUWRGPW-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.38
Rot. Bonds4

About N-(3-amino-5-fluorophenyl)-3-methoxypropanamide

N-(3-amino-5-fluorophenyl)-3-methoxypropanamide (PubChem CID 107333846) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-3-methoxypropanamide
PubChem CID107333846
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN-(3-amino-5-fluorophenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-15-3-2-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3,12H2,1H3,(H,13,14)
InChIKeyOEBQNYKSUWRGPW-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-5-fluorophenyl)-3-propoxypropanamide
CID 107334000
N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide
CID 107334101
N-(3-amino-5-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 107333874
N-(3-amino-5-fluorophenyl)-3-(3-methylphenyl)propanamide
CID 107333898
5-fluoro-3-N-(3-methoxypropyl)benzene-1,3-diamine
CID 60874799
N-(3-amino-5-fluorophenyl)-4-methoxybenzamide
CID 107333930
2-methoxyethyl N-(3,5-diaminophenyl)carbamate
CID 151276673
1-(3-amino-5-fluorophenyl)-3-ethylurea
CID 107334332
N-(3,5-difluorophenyl)butanamide
CID 17271988
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide
CID 107334024

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-3-methoxypropanamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-3-methoxypropanamide (CID 107333846) is N-(3-amino-5-fluorophenyl)-3-methoxypropanamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-3-methoxypropanamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-3-methoxypropanamide is COCCC(=O)Nc1cc(N)cc(F)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-3-methoxypropanamide?
The InChIKey is OEBQNYKSUWRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-15-3-2-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3,12H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-5-fluorophenyl)-3-methoxypropanamide?
N-(3-amino-5-fluorophenyl)-3-methoxypropanamide has a molecular weight of 212.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-3-methoxypropanamide is sourced from PubChem (CID 107333846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).