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

C22H22F2N2O — CID 8638957

IUPAC2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
SMILESC[C@@H](NCC(=O)N[C@H](C)c1cccc2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C22H22F2N2O/c1-14(17-10-11-20(23)21(24)12-17)25-13-22(27)26-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,14-15,25H,13H2,1-2H3,(H,26,27)/t14-,15-/m1/s1
InChIKeyHPMVNBDGEDKMBD-HUUCEWRRSA-N
MW368.43 g/mol
LogP4.65
Rot. Bonds6

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

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (PubChem CID 8638957) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
PubChem CID8638957
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
SMILESC[C@@H](NCC(=O)N[C@H](C)c1cccc2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C22H22F2N2O/c1-14(17-10-11-20(23)21(24)12-17)25-13-22(27)26-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,14-15,25H,13H2,1-2H3,(H,26,27)/t14-,15-/m1/s1
InChIKeyHPMVNBDGEDKMBD-HUUCEWRRSA-N
XLogP4.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8638935
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 9376373
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140
N-[(3-chlorophenyl)methyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377009
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8922326
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
N-[1-(3-chlorophenyl)ethyl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086132

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (CID 8638957) is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is C[C@@H](NCC(=O)N[C@H](C)c1cccc2ccccc12)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The InChIKey is HPMVNBDGEDKMBD-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H22F2N2O/c1-14(17-10-11-20(23)21(24)12-17)25-13-22(27)26-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-12,14-15,25H,13H2,1-2H3,(H,26,27)/t14-,15-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 4.65, 6 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-[(1R)-1-naphthalen-1-ylethyl]acetamide is sourced from PubChem (CID 8638957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).