2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid

C18H18Cl2FNO2 — CID 167275749

IUPAC2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid
SMILESCN(CCc1ccc(Cl)cc1Cl)Cc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C18H18Cl2FNO2/c1-22(7-6-13-4-5-15(19)10-16(13)20)11-12-2-3-14(9-18(23)24)17(21)8-12/h2-5,8,10H,6-7,9,11H2,1H3,(H,23,24)
InChIKeyTTWVOGSJCTUAJP-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.43
Rot. Bonds7

About 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid

2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid (PubChem CID 167275749) has the molecular formula C18H18Cl2FNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid
PubChem CID167275749
Molecular FormulaC18H18Cl2FNO2
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid
SMILESCN(CCc1ccc(Cl)cc1Cl)Cc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C18H18Cl2FNO2/c1-22(7-6-13-4-5-15(19)10-16(13)20)11-12-2-3-14(9-18(23)24)17(21)8-12/h2-5,8,10H,6-7,9,11H2,1H3,(H,23,24)
InChIKeyTTWVOGSJCTUAJP-UHFFFAOYSA-N
XLogP4.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid (CID 167275749) is 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid is CN(CCc1ccc(Cl)cc1Cl)Cc1ccc(CC(=O)O)c(F)c1.
What is the InChIKey of 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid?
The InChIKey is TTWVOGSJCTUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO2/c1-22(7-6-13-4-5-15(19)10-16(13)20)11-12-2-3-14(9-18(23)24)17(21)8-12/h2-5,8,10H,6-7,9,11H2,1H3,(H,23,24).
What are the key properties of 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid?
2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid has a molecular weight of 370.25 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,4-dichlorophenyl)ethyl-methylamino]methyl]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 167275749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).