2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide

C19H23FN2O2 — CID 4883663

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O2/c1-14(22(2)13-16-5-4-6-17(20)11-16)19(23)21-12-15-7-9-18(24-3)10-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyYBGPPARLTQBSQS-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.97
Rot. Bonds7

About 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide

2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 4883663) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID4883663
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O2/c1-14(22(2)13-16-5-4-6-17(20)11-16)19(23)21-12-15-7-9-18(24-3)10-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyYBGPPARLTQBSQS-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 4883663) is 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)N(C)Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is YBGPPARLTQBSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14(22(2)13-16-5-4-6-17(20)11-16)19(23)21-12-15-7-9-18(24-3)10-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 330.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 4883663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).