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

C18H20F2N2O2 — CID 109025996

IUPACN-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C18H20F2N2O2/c1-24-14-7-5-13(6-8-14)9-11-21-12-10-17(23)22-18-15(19)3-2-4-16(18)20/h2-8,21H,9-12H2,1H3,(H,22,23)
InChIKeyKORZNTPNDGKLOD-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.13
Rot. Bonds8

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

N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide (PubChem CID 109025996) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
PubChem CID109025996
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(CCNCCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C18H20F2N2O2/c1-24-14-7-5-13(6-8-14)9-11-21-12-10-17(23)22-18-15(19)3-2-4-16(18)20/h2-8,21H,9-12H2,1H3,(H,22,23)
InChIKeyKORZNTPNDGKLOD-UHFFFAOYSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001267
N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741
N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027882
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
3-[2-(4-methoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)propanamide
CID 109025969
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000990
N-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)hexanamide
CID 86788796
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001189
N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
CID 109032108

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide (CID 109025996) is N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide is COc1ccc(CCNCCC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
The InChIKey is KORZNTPNDGKLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-24-14-7-5-13(6-8-14)9-11-21-12-10-17(23)22-18-15(19)3-2-4-16(18)20/h2-8,21H,9-12H2,1H3,(H,22,23).
What are the key properties of N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide?
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide has a molecular weight of 334.37 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109025996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).