2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C17H18F2N2O3 — CID 109005391

IUPAC2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CNc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O3/c1-23-13-3-5-14(6-4-13)24-9-8-20-17(22)11-21-16-7-2-12(18)10-15(16)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyURNMDNMOSMCPSS-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.58
Rot. Bonds8

About 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 109005391) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID109005391
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)CNc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O3/c1-23-13-3-5-14(6-4-13)24-9-8-20-17(22)11-21-16-7-2-12(18)10-15(16)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyURNMDNMOSMCPSS-UHFFFAOYSA-N
XLogP2.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.58
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

2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 112994890
3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031072
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216800
2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005350
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 109005391) is 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)CNc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is URNMDNMOSMCPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-23-13-3-5-14(6-4-13)24-9-8-20-17(22)11-21-16-7-2-12(18)10-15(16)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 336.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 109005391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).