2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide

C17H17ClFNO2 — CID 100547759

IUPAC2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C17H17ClFNO2/c1-12-3-2-4-15(9-12)22-8-7-20-17(21)10-13-5-6-14(18)11-16(13)19/h2-6,9,11H,7-8,10H2,1H3,(H,20,21)
InChIKeyYSXGDZLQCDULLC-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.53
Rot. Bonds6

About 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 100547759) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID100547759
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C17H17ClFNO2/c1-12-3-2-4-15(9-12)22-8-7-20-17(21)10-13-5-6-14(18)11-16(13)19/h2-6,9,11H,7-8,10H2,1H3,(H,20,21)
InChIKeyYSXGDZLQCDULLC-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 40747500
N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide
CID 2446420
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86926221
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 8636590

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 100547759) is 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)Cc2ccc(Cl)cc2F)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is YSXGDZLQCDULLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-12-3-2-4-15(9-12)22-8-7-20-17(21)10-13-5-6-14(18)11-16(13)19/h2-6,9,11H,7-8,10H2,1H3,(H,20,21).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 321.78 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 100547759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).