2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide

C18H20ClFN2O2 — CID 55870003

IUPAC2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide
SMILESCN(CCCOc1cccc(Cl)c1)C(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O2/c1-22(10-3-11-24-16-5-2-4-14(19)12-16)17(18(21)23)13-6-8-15(20)9-7-13/h2,4-9,12,17H,3,10-11H2,1H3,(H2,21,23)
InChIKeyPWSCEHPEKGXAOX-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.41
Rot. Bonds8

About 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide

2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide (PubChem CID 55870003) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide
PubChem CID55870003
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide
SMILESCN(CCCOc1cccc(Cl)c1)C(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O2/c1-22(10-3-11-24-16-5-2-4-14(19)12-16)17(18(21)23)13-6-8-15(20)9-7-13/h2,4-9,12,17H,3,10-11H2,1H3,(H2,21,23)
InChIKeyPWSCEHPEKGXAOX-UHFFFAOYSA-N
XLogP3.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 60517268
3-(3-chlorophenoxy)propanamide
CID 23512799
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27446833
2-amino-4-(3-chlorophenoxy)butanamide
CID 174561608
4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
CID 56549046
(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide
CID 94192884
methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate
CID 62011529

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide (CID 55870003) is 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide is CN(CCCOc1cccc(Cl)c1)C(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is PWSCEHPEKGXAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-22(10-3-11-24-16-5-2-4-14(19)12-16)17(18(21)23)13-6-8-15(20)9-7-13/h2,4-9,12,17H,3,10-11H2,1H3,(H2,21,23).
What are the key properties of 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide?
2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 350.82 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55870003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).