N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide

C20H22F2N2O — CID 98716008

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESC[C@@H]1CCc2ccccc2N1CC(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O/c1-13-7-8-15-5-3-4-6-19(15)24(13)12-20(25)23-14(2)17-10-9-16(21)11-18(17)22/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H,23,25)/t13-,14-/m1/s1
InChIKeyAUFZWDIALJFJQO-ZIAGYGMSSA-N
MW344.41 g/mol
LogP3.98
Rot. Bonds4

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (PubChem CID 98716008) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
PubChem CID98716008
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESC[C@@H]1CCc2ccccc2N1CC(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O/c1-13-7-8-15-5-3-4-6-19(15)24(13)12-20(25)23-14(2)17-10-9-16(21)11-18(17)22/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H,23,25)/t13-,14-/m1/s1
InChIKeyAUFZWDIALJFJQO-ZIAGYGMSSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 98553310
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497142
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8724752
(2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide
CID 98798492
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9225138
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51930856
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154420
N-(2-ethylphenyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 22198917
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (CID 98716008) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is C[C@@H]1CCc2ccccc2N1CC(=O)N[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The InChIKey is AUFZWDIALJFJQO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-13-7-8-15-5-3-4-6-19(15)24(13)12-20(25)23-14(2)17-10-9-16(21)11-18(17)22/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H,23,25)/t13-,14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is sourced from PubChem (CID 98716008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).