2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide

C20H18F2N2O — CID 9376373

IUPAC2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
SMILESC[C@@H](NCC(=O)Nc1cccc2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N2O/c1-13(15-9-10-17(21)18(22)11-15)23-12-20(25)24-19-8-4-6-14-5-2-3-7-16(14)19/h2-11,13,23H,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyFETGPWXRTADXRN-CYBMUJFWSA-N
MW340.37 g/mol
LogP4.41
Rot. Bonds5

About 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide (PubChem CID 9376373) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
PubChem CID9376373
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
SMILESC[C@@H](NCC(=O)Nc1cccc2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N2O/c1-13(15-9-10-17(21)18(22)11-15)23-12-20(25)24-19-8-4-6-14-5-2-3-7-16(14)19/h2-11,13,23H,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyFETGPWXRTADXRN-CYBMUJFWSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 8638957
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376956
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140
N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
CID 43108042
2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 40939435
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide (CID 9376373) is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide is C[C@@H](NCC(=O)Nc1cccc2ccccc12)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide?
The InChIKey is FETGPWXRTADXRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18F2N2O/c1-13(15-9-10-17(21)18(22)11-15)23-12-20(25)24-19-8-4-6-14-5-2-3-7-16(14)19/h2-11,13,23H,12H2,1H3,(H,24,25)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide?
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide has a molecular weight of 340.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 9376373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).