N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide

C21H24F2N2O — CID 90986738

IUPACN-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide
SMILESCN(C(=O)CCc1ccc2c(n1)CCCC2)c1ccc(C(C)(F)F)cc1
InChIInChI=1S/C21H24F2N2O/c1-21(22,23)16-8-12-18(13-9-16)25(2)20(26)14-11-17-10-7-15-5-3-4-6-19(15)24-17/h7-10,12-13H,3-6,11,14H2,1-2H3
InChIKeyUNXBJGFLNMBKJV-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.67
Rot. Bonds5

About N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide

N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide (PubChem CID 90986738) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide
PubChem CID90986738
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC NameN-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide
SMILESCN(C(=O)CCc1ccc2c(n1)CCCC2)c1ccc(C(C)(F)F)cc1
InChIInChI=1S/C21H24F2N2O/c1-21(22,23)16-8-12-18(13-9-16)25(2)20(26)14-11-17-10-7-15-5-3-4-6-19(15)24-17/h7-10,12-13H,3-6,11,14H2,1-2H3
InChIKeyUNXBJGFLNMBKJV-UHFFFAOYSA-N
XLogP4.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide
CID 167779080
N-(3-tert-butyl-4-hydroxypent-4-enyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanamide
CID 163443467
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one
CID 157367520
1-(azetidin-3-yl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentan-2-one
CID 158030932
3-(5-tert-butyl-2-hydroxyphenyl)-4-[1-methyl-5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]butanoic acid
CID 157470474
3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid
CID 83841565
methyl 3-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethylamino)phenyl]-3-methylbutanoate
CID 166384467
(E)-7-(5,6,7,8-tetrahydroquinolin-2-yl)-1-[7-(trifluoromethyl)quinolin-3-yl]hept-1-en-3-ol
CID 157113050
2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 138374175
N-(5,6,7,8-tetrahydroquinolin-2-yl)acetamide
CID 10035435
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide?
The IUPAC name of N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide (CID 90986738) is N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide.
What is the SMILES notation for N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide?
The canonical SMILES for N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide is CN(C(=O)CCc1ccc2c(n1)CCCC2)c1ccc(C(C)(F)F)cc1.
What is the InChIKey of N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide?
The InChIKey is UNXBJGFLNMBKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-21(22,23)16-8-12-18(13-9-16)25(2)20(26)14-11-17-10-7-15-5-3-4-6-19(15)24-17/h7-10,12-13H,3-6,11,14H2,1-2H3.
What are the key properties of N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide?
N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide has a molecular weight of 358.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide is sourced from PubChem (CID 90986738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).