N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide

C18H19ClFNO2 — CID 113103060

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(OCCNC(=O)Cc2ccc(F)cc2)cc(C)c1Cl
InChIInChI=1S/C18H19ClFNO2/c1-12-9-16(10-13(2)18(12)19)23-8-7-21-17(22)11-14-3-5-15(20)6-4-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,22)
InChIKeyQJGOXZYWPHUMFA-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113103060) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113103060
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(OCCNC(=O)Cc2ccc(F)cc2)cc(C)c1Cl
InChIInChI=1S/C18H19ClFNO2/c1-12-9-16(10-13(2)18(12)19)23-8-7-21-17(22)11-14-3-5-15(20)6-4-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,22)
InChIKeyQJGOXZYWPHUMFA-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.83
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-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide
CID 113103032
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide
CID 113103062
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
CID 19191108
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-(2,6-difluorophenyl)urea
CID 112977247
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946
N-(2-aminooxyethyl)-2-(4-fluorophenyl)acetamide
CID 39243053
2-[4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]phenyl]acetic acid
CID 175656623
2-(4-chlorophenyl)-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
CID 113101342
3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1,1-diethylurea
CID 112977185

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide (CID 113103060) is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide is Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)cc(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is QJGOXZYWPHUMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-12-9-16(10-13(2)18(12)19)23-8-7-21-17(22)11-14-3-5-15(20)6-4-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 335.81 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113103060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).