3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide

C18H18Cl2FNO3 — CID 55772529

IUPAC3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCOc1ccc(F)cc1Cl
InChIInChI=1S/C18H18Cl2FNO3/c1-22(11-12-9-13(19)3-5-16(12)24-2)18(23)7-8-25-17-6-4-14(21)10-15(17)20/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyORGPPZMCBGFSDK-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.57
Rot. Bonds7

About 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide

3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 55772529) has the molecular formula C18H18Cl2FNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID55772529
Molecular FormulaC18H18Cl2FNO3
Molecular Weight386.25 g/mol
Exact Mass385.06
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCOc1ccc(F)cc1Cl
InChIInChI=1S/C18H18Cl2FNO3/c1-22(11-12-9-13(19)3-5-16(12)24-2)18(23)7-8-25-17-6-4-14(21)10-15(17)20/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyORGPPZMCBGFSDK-UHFFFAOYSA-N
XLogP4.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide
CID 55770838
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea
CID 112825322
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
4-[[2-(5-chloro-2-methoxyphenyl)acetyl]-methylamino]butanoic acid
CID 43092874
3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
CID 112826776

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide (CID 55772529) is 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(Cl)cc1CN(C)C(=O)CCOc1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is ORGPPZMCBGFSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO3/c1-22(11-12-9-13(19)3-5-16(12)24-2)18(23)7-8-25-17-6-4-14(21)10-15(17)20/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide?
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 386.25 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 55772529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).