2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid

C19H19ClFNO5 — CID 119185987

IUPAC2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(C)c2ccc(F)cc2Cl)ccc1OCC(=O)O
InChIInChI=1S/C19H19ClFNO5/c1-3-26-17-8-12(4-7-16(17)27-10-18(23)24)19(25)22-11(2)14-6-5-13(21)9-15(14)20/h4-9,11H,3,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyIMRJPCHSHIJJIA-UHFFFAOYSA-N
MW395.81 g/mol
LogP3.83
Rot. Bonds8

About 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid

2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid (PubChem CID 119185987) has the molecular formula C19H19ClFNO5 and a molecular weight of 395.81 g/mol. Its IUPAC name is 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
PubChem CID119185987
Molecular FormulaC19H19ClFNO5
Molecular Weight395.81 g/mol
Exact Mass395.09
IUPAC Name2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(C)c2ccc(F)cc2Cl)ccc1OCC(=O)O
InChIInChI=1S/C19H19ClFNO5/c1-3-26-17-8-12(4-7-16(17)27-10-18(23)24)19(25)22-11(2)14-6-5-13(21)9-15(14)20/h4-9,11H,3,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyIMRJPCHSHIJJIA-UHFFFAOYSA-N
XLogP3.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578
2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid
CID 119182029
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
3-[1-(2-chloro-4-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 122002830
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid (CID 119185987) is 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid is CCOc1cc(C(=O)NC(C)c2ccc(F)cc2Cl)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid?
The InChIKey is IMRJPCHSHIJJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO5/c1-3-26-17-8-12(4-7-16(17)27-10-18(23)24)19(25)22-11(2)14-6-5-13(21)9-15(14)20/h4-9,11H,3,10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid?
2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid has a molecular weight of 395.81 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 119185987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).