3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide

C11H16FN3O2 — CID 116848774

IUPAC3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide
SMILESCCOc1ccc(C(N)CC(=O)NN)cc1F
InChIInChI=1S/C11H16FN3O2/c1-2-17-10-4-3-7(5-8(10)12)9(13)6-11(16)15-14/h3-5,9H,2,6,13-14H2,1H3,(H,15,16)
InChIKeyGJQKOYPFNGCIHW-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.60
Rot. Bonds5

About 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide

3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide (PubChem CID 116848774) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide.

Molecular Properties

Compound Name3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide
PubChem CID116848774
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide
SMILESCCOc1ccc(C(N)CC(=O)NN)cc1F
InChIInChI=1S/C11H16FN3O2/c1-2-17-10-4-3-7(5-8(10)12)9(13)6-11(16)15-14/h3-5,9H,2,6,13-14H2,1H3,(H,15,16)
InChIKeyGJQKOYPFNGCIHW-UHFFFAOYSA-N
XLogP0.60
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
3,4-diamino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 116942807
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
2-amino-2-(4-ethoxy-3-fluorophenyl)-N,N-dimethylacetamide
CID 116850116
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
ethyl 2-chloro-2-(4-ethoxy-3-fluorophenyl)acetate
CID 116863125
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide?
The IUPAC name of 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide (CID 116848774) is 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide.
What is the SMILES notation for 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide?
The canonical SMILES for 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide is CCOc1ccc(C(N)CC(=O)NN)cc1F.
What is the InChIKey of 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide?
The InChIKey is GJQKOYPFNGCIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-2-17-10-4-3-7(5-8(10)12)9(13)6-11(16)15-14/h3-5,9H,2,6,13-14H2,1H3,(H,15,16).
What are the key properties of 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide?
3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide has a molecular weight of 241.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide is sourced from PubChem (CID 116848774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).