N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide

C17H18F2N2O3 — CID 109040526

IUPACN-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2c(F)cccc2F)c(OC)c1
InChIInChI=1S/C17H18F2N2O3/c1-23-11-6-7-14(15(10-11)24-2)20-9-8-16(22)21-17-12(18)4-3-5-13(17)19/h3-7,10,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyLDYUGPMXYFQBAZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.42
Rot. Bonds7

About N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide

N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide (PubChem CID 109040526) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
PubChem CID109040526
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC NameN-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2c(F)cccc2F)c(OC)c1
InChIInChI=1S/C17H18F2N2O3/c1-23-11-6-7-14(15(10-11)24-2)20-9-8-16(22)21-17-12(18)4-3-5-13(17)19/h3-7,10,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyLDYUGPMXYFQBAZ-UHFFFAOYSA-N
XLogP3.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046
N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037085
3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109040495
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499
N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide (CID 109040526) is N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide is COc1ccc(NCCC(=O)Nc2c(F)cccc2F)c(OC)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide?
The InChIKey is LDYUGPMXYFQBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-23-11-6-7-14(15(10-11)24-2)20-9-8-16(22)21-17-12(18)4-3-5-13(17)19/h3-7,10,20H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide?
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide has a molecular weight of 336.34 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 109040526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).