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

C18H20F2N2O2 — CID 109025741

IUPACN-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cccc(CCNCCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C18H20F2N2O2/c1-24-14-5-2-4-13(12-14)8-10-21-11-9-17(23)22-18-15(19)6-3-7-16(18)20/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeyMOKMNWTUXQEJSX-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.13
Rot. Bonds8

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

N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide (PubChem CID 109025741) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
PubChem CID109025741
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
SMILESCOc1cccc(CCNCCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C18H20F2N2O2/c1-24-14-5-2-4-13(12-14)8-10-21-11-9-17(23)22-18-15(19)6-3-7-16(18)20/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeyMOKMNWTUXQEJSX-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-(3-methoxyphenyl)ethylamino]acetamide
CID 109000990
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027882
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
N-(2-ethoxyphenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025688
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001267
N-(3-chloro-4-methoxyphenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025681
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 109025637
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide (CID 109025741) is N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide is COc1cccc(CCNCCC(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide?
The InChIKey is MOKMNWTUXQEJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-24-14-5-2-4-13(12-14)8-10-21-11-9-17(23)22-18-15(19)6-3-7-16(18)20/h2-7,12,21H,8-11H2,1H3,(H,22,23).
What are the key properties of N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide?
N-(2,6-difluorophenyl)-3-[2-(3-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-(3-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109025741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).