2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

C19H23FN2O2 — CID 47013117

IUPAC2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCCOc1ccccc1NC(C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H23FN2O2/c1-4-24-18-11-6-5-10-17(18)21-14(2)19(23)22(3)13-15-8-7-9-16(20)12-15/h5-12,14,21H,4,13H2,1-3H3
InChIKeyJITCQQOYLPFIKM-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.68
Rot. Bonds7

About 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 47013117) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID47013117
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCCOc1ccccc1NC(C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H23FN2O2/c1-4-24-18-11-6-5-10-17(18)21-14(2)19(23)22(3)13-15-8-7-9-16(20)12-15/h5-12,14,21H,4,13H2,1-3H3
InChIKeyJITCQQOYLPFIKM-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 47013117) is 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is CCOc1ccccc1NC(C)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is JITCQQOYLPFIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-4-24-18-11-6-5-10-17(18)21-14(2)19(23)22(3)13-15-8-7-9-16(20)12-15/h5-12,14,21H,4,13H2,1-3H3.
What are the key properties of 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 330.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 47013117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).