2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide

C14H17FN2O2 — CID 115175104

IUPAC2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCOc1ccc(CNC(=O)C(C)(C)C#N)cc1F
InChIInChI=1S/C14H17FN2O2/c1-4-19-12-6-5-10(7-11(12)15)8-17-13(18)14(2,3)9-16/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyGQMHJPQSNCOXKZ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.39
Rot. Bonds5

About 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide

2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 115175104) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID115175104
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCOc1ccc(CNC(=O)C(C)(C)C#N)cc1F
InChIInChI=1S/C14H17FN2O2/c1-4-19-12-6-5-10(7-11(12)15)8-17-13(18)14(2,3)9-16/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyGQMHJPQSNCOXKZ-UHFFFAOYSA-N
XLogP2.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropanamide
CID 115175082
2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 115175101
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
CID 110775057
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate
CID 115128433
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506012
(E)-4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177207
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899
N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 110793966
3-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234230
2-cyano-N-[(3-cyanophenyl)methyl]-2-methylpropanamide
CID 61059964

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide (CID 115175104) is 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide is CCOc1ccc(CNC(=O)C(C)(C)C#N)cc1F.
What is the InChIKey of 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is GQMHJPQSNCOXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-4-19-12-6-5-10(7-11(12)15)8-17-13(18)14(2,3)9-16/h5-7H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide?
2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 264.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 115175104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).