2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide

C14H19FN2O — CID 91331419

IUPAC2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide
SMILES[H]/N=C(\C)C(CC)C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-3-12(10(2)16)14(18)17-9-8-11-6-4-5-7-13(11)15/h4-7,12,16H,3,8-9H2,1-2H3,(H,17,18)/b16-10+
InChIKeyMZNWNDYSMYDYOQ-MHWRWJLKSA-N
MW250.32 g/mol
LogP2.55
Rot. Bonds6

About 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide

2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide (PubChem CID 91331419) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide
PubChem CID91331419
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide
SMILES[H]/N=C(\C)C(CC)C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-3-12(10(2)16)14(18)17-9-8-11-6-4-5-7-13(11)15/h4-7,12,16H,3,8-9H2,1-2H3,(H,17,18)/b16-10+
InChIKeyMZNWNDYSMYDYOQ-MHWRWJLKSA-N
XLogP2.55
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide?
The IUPAC name of 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide (CID 91331419) is 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide?
The canonical SMILES for 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide is [H]/N=C(\C)C(CC)C(=O)NCCc1ccccc1F.
What is the InChIKey of 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide?
The InChIKey is MZNWNDYSMYDYOQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-12(10(2)16)14(18)17-9-8-11-6-4-5-7-13(11)15/h4-7,12,16H,3,8-9H2,1-2H3,(H,17,18)/b16-10+.
What are the key properties of 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide?
2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide has a molecular weight of 250.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3-iminobutanamide is sourced from PubChem (CID 91331419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).