N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide

C21H21FN2O — CID 2110538

IUPACN-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CNCc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C21H21FN2O/c1-2-24(20-13-7-10-16-8-3-5-11-18(16)20)21(25)15-23-14-17-9-4-6-12-19(17)22/h3-13,23H,2,14-15H2,1H3
InChIKeyVLYJFHBUPRDTFY-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.12
Rot. Bonds6

About N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide

N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide (PubChem CID 2110538) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide
PubChem CID2110538
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC NameN-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CNCc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C21H21FN2O/c1-2-24(20-13-7-10-16-8-3-5-11-18(16)20)21(25)15-23-14-17-9-4-6-12-19(17)22/h3-13,23H,2,14-15H2,1H3
InChIKeyVLYJFHBUPRDTFY-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
N,N-dimethyl-2-(naphthalen-1-ylmethylamino)acetamide
CID 21468663
N-ethyl-2-(4-fluoro-3-nitroanilino)-N-naphthalen-1-ylacetamide
CID 4214944
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 2512971
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide
CID 112727460
2-[(2-fluorophenyl)methylamino]acetyl iodide
CID 122663057
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
2-(2-ethoxyphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 112779417
N-ethyl-2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 110881176

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide (CID 2110538) is N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide is CCN(C(=O)CNCc1ccccc1F)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is VLYJFHBUPRDTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-2-24(20-13-7-10-16-8-3-5-11-18(16)20)21(25)15-23-14-17-9-4-6-12-19(17)22/h3-13,23H,2,14-15H2,1H3.
What are the key properties of N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide?
N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 336.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2110538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).