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2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide

C22H22F2N2O — CID 55558193

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1ccc(F)c(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22F2N2O/c1-15(18-9-8-17-5-3-4-6-19(17)12-18)25-22(27)14-26(2)13-16-7-10-20(23)21(24)11-16/h3-12,15H,13-14H2,1-2H3,(H,25,27)
InChIKeyWCZBKKFZYVZTEP-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.43
Rot. Bonds6

About 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide

2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 55558193) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID55558193
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1ccc(F)c(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22F2N2O/c1-15(18-9-8-17-5-3-4-6-19(17)12-18)25-22(27)14-26(2)13-16-7-10-20(23)21(24)11-16/h3-12,15H,13-14H2,1-2H3,(H,25,27)
InChIKeyWCZBKKFZYVZTEP-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide (CID 55558193) is 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide is CC(NC(=O)CN(C)Cc1ccc(F)c(F)c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is WCZBKKFZYVZTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O/c1-15(18-9-8-17-5-3-4-6-19(17)12-18)25-22(27)14-26(2)13-16-7-10-20(23)21(24)11-16/h3-12,15H,13-14H2,1-2H3,(H,25,27).
What are the key properties of 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide?
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 368.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 55558193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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