N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide

C19H22F2N2O3 — CID 109027869

IUPACN-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C19H22F2N2O3/c1-25-17-6-3-13(11-18(17)26-2)7-9-22-10-8-19(24)23-16-5-4-14(20)12-15(16)21/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyNGGASHFBMCRBRX-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.14
Rot. Bonds9

About N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide

N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide (PubChem CID 109027869) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
PubChem CID109027869
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC NameN-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C19H22F2N2O3/c1-25-17-6-3-13(11-18(17)26-2)7-9-22-10-8-19(24)23-16-5-4-14(20)12-15(16)21/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyNGGASHFBMCRBRX-UHFFFAOYSA-N
XLogP3.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027882
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126204503
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3,4-trifluoroanilino)propanamide
CID 109027802
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
N-(2,4-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000719

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide (CID 109027869) is N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide is COc1ccc(CCNCCC(=O)Nc2ccc(F)cc2F)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide?
The InChIKey is NGGASHFBMCRBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-25-17-6-3-13(11-18(17)26-2)7-9-22-10-8-19(24)23-16-5-4-14(20)12-15(16)21/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24).
What are the key properties of N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide?
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide has a molecular weight of 364.39 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109027869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).