N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide

C19H22FNO3 — CID 110618633

IUPACN-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)Cc2ccccc2F)cc1OC
InChIInChI=1S/C19H22FNO3/c1-13(11-14-7-5-6-8-16(14)20)19(22)21(2)15-9-10-17(23-3)18(12-15)24-4/h5-10,12-13H,11H2,1-4H3
InChIKeyISAKKZDLLLAIRH-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.68
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide

N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide (PubChem CID 110618633) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide
PubChem CID110618633
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)Cc2ccccc2F)cc1OC
InChIInChI=1S/C19H22FNO3/c1-13(11-14-7-5-6-8-16(14)20)19(22)21(2)15-9-10-17(23-3)18(12-15)24-4/h5-10,12-13H,11H2,1-4H3
InChIKeyISAKKZDLLLAIRH-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298791
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanesulfonamide
CID 110618623
2-amino-3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115179186
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-fluorophenyl)-2-methylpropan-1-one
CID 110298798
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
CID 94474380
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298783
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide (CID 110618633) is N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide is COc1ccc(N(C)C(=O)C(C)Cc2ccccc2F)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide?
The InChIKey is ISAKKZDLLLAIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13(11-14-7-5-6-8-16(14)20)19(22)21(2)15-9-10-17(23-3)18(12-15)24-4/h5-10,12-13H,11H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide?
N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide has a molecular weight of 331.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 110618633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).