N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide

C19H22F2N2O3 — CID 109027882

IUPACN-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2c(F)cccc2F)cc1OC
InChIInChI=1S/C19H22F2N2O3/c1-25-16-7-6-13(12-17(16)26-2)8-10-22-11-9-18(24)23-19-14(20)4-3-5-15(19)21/h3-7,12,22H,8-11H2,1-2H3,(H,23,24)
InChIKeyQYKDTCUTPYJRLJ-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.14
Rot. Bonds9

About N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide

N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide (PubChem CID 109027882) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
PubChem CID109027882
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC NameN-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2c(F)cccc2F)cc1OC
InChIInChI=1S/C19H22F2N2O3/c1-25-16-7-6-13(12-17(16)26-2)8-10-22-11-9-18(24)23-19-14(20)4-3-5-15(19)21/h3-7,12,22H,8-11H2,1-2H3,(H,23,24)
InChIKeyQYKDTCUTPYJRLJ-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-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113002282
1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891619
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997641
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113165654
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001267
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide (CID 109027882) is N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide is COc1ccc(CCNCCC(=O)Nc2c(F)cccc2F)cc1OC.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide?
The InChIKey is QYKDTCUTPYJRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-25-16-7-6-13(12-17(16)26-2)8-10-22-11-9-18(24)23-19-14(20)4-3-5-15(19)21/h3-7,12,22H,8-11H2,1-2H3,(H,23,24).
What are the key properties of N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide?
N-(2,6-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-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109027882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).