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

C22H22F2N2O — CID 55558193

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 9113157
2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 9050148
2-[2-hydroxyethyl(methyl)amino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 110880775
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 46809808
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599158
2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26011498
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 47007435
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
N-(4-chloro-2-fluorophenyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 17487361
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530

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).