2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide

C22H23FN2O — CID 55411329

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H23FN2O/c1-16(20-9-5-7-18-6-3-4-8-21(18)20)24-22(26)15-25(2)14-17-10-12-19(23)13-11-17/h3-13,16H,14-15H2,1-2H3,(H,24,26)
InChIKeyCZJYTCSGNQFSOO-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.29
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 55411329) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID55411329
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H23FN2O/c1-16(20-9-5-7-18-6-3-4-8-21(18)20)24-22(26)15-25(2)14-17-10-12-19(23)13-11-17/h3-13,16H,14-15H2,1-2H3,(H,24,26)
InChIKeyCZJYTCSGNQFSOO-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 8680646
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-(2-ethylphenyl)-2-[methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8789532
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 8540444
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594865
N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9252027
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55558193

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide (CID 55411329) is 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide is CC(NC(=O)CN(C)Cc1ccc(F)cc1)c1cccc2ccccc12.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is CZJYTCSGNQFSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-16(20-9-5-7-18-6-3-4-8-21(18)20)24-22(26)15-25(2)14-17-10-12-19(23)13-11-17/h3-13,16H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 55411329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).