2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C18H21FN2O — CID 4963907

IUPAC2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C18H21FN2O/c1-21(13-16-5-3-2-4-6-16)14-18(22)20-12-11-15-7-9-17(19)10-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyNUVLLULPYTVFJR-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.62
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 4963907) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID4963907
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C18H21FN2O/c1-21(13-16-5-3-2-4-6-16)14-18(22)20-12-11-15-7-9-17(19)10-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyNUVLLULPYTVFJR-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 4963907) is 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is CN(CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NUVLLULPYTVFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-21(13-16-5-3-2-4-6-16)14-18(22)20-12-11-15-7-9-17(19)10-8-15/h2-10H,11-14H2,1H3,(H,20,22).
What are the key properties of 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 4963907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).