N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide

C12H17FN2O2 — CID 107334101

IUPACN-(3-amino-5-fluorophenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-17-5-3-4-12(16)15-11-7-9(13)6-10(14)8-11/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyYOZZPUWYRNFNLH-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.16
Rot. Bonds6

About N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide

N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide (PubChem CID 107334101) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-4-ethoxybutanamide
PubChem CID107334101
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-amino-5-fluorophenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-17-5-3-4-12(16)15-11-7-9(13)6-10(14)8-11/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyYOZZPUWYRNFNLH-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide 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

N-(3-amino-5-fluorophenyl)-3-propoxypropanamide
CID 107334000
N-(3-amino-5-fluorophenyl)-3-methoxypropanamide
CID 107333846
4-ethoxy-N-phenylbutanamide
CID 112728021
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
CID 103753688
N-(3,5-difluorophenyl)butanamide
CID 17271988
1-(3-amino-5-fluorophenyl)-3-ethylurea
CID 107334332
2-(4-ethoxybutanoylamino)-4-fluorobenzoic acid
CID 78980396
N-(3-amino-5-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 107333874
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide
CID 107578510
N-(3-amino-5-fluorophenyl)-3-(3-methylphenyl)propanamide
CID 107333898

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide (CID 107334101) is N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1cc(N)cc(F)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide?
The InChIKey is YOZZPUWYRNFNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-17-5-3-4-12(16)15-11-7-9(13)6-10(14)8-11/h6-8H,2-5,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide?
N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide has a molecular weight of 240.28 g/mol, XLogP of 2.16, 6 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)-4-ethoxybutanamide is sourced from PubChem (CID 107334101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).