2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid

C20H19Cl2NO5 — CID 11998592

IUPAC2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid
SMILESCOC(c1cc(Cl)ccc1OCC(=O)O)c1cc(Cl)ccc1C(=O)NC1CC1
InChIInChI=1S/C20H19Cl2NO5/c1-27-19(16-9-12(22)3-7-17(16)28-10-18(24)25)15-8-11(21)2-6-14(15)20(26)23-13-4-5-13/h2-3,6-9,13,19H,4-5,10H2,1H3,(H,23,26)(H,24,25)
InChIKeyKMJHCRXYXYDZEU-UHFFFAOYSA-N
MW424.28 g/mol
LogP4.08
Rot. Bonds8

About 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid

2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid (PubChem CID 11998592) has the molecular formula C20H19Cl2NO5 and a molecular weight of 424.28 g/mol. Its IUPAC name is 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid
PubChem CID11998592
Molecular FormulaC20H19Cl2NO5
Molecular Weight424.28 g/mol
Exact Mass423.06
IUPAC Name2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid
SMILESCOC(c1cc(Cl)ccc1OCC(=O)O)c1cc(Cl)ccc1C(=O)NC1CC1
InChIInChI=1S/C20H19Cl2NO5/c1-27-19(16-9-12(22)3-7-17(16)28-10-18(24)25)15-8-11(21)2-6-14(15)20(26)23-13-4-5-13/h2-3,6-9,13,19H,4-5,10H2,1H3,(H,23,26)(H,24,25)
InChIKeyKMJHCRXYXYDZEU-UHFFFAOYSA-N
XLogP4.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[4-chloro-2-(1-chloroethyl)phenoxy]acetic acid
CID 68981824
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
N-cyclopropyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 7729391
2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512
2-(2-acetyl-4-chlorophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 7167631
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
CID 54929439
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
CID 111969627

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid (CID 11998592) is 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid is COC(c1cc(Cl)ccc1OCC(=O)O)c1cc(Cl)ccc1C(=O)NC1CC1.
What is the InChIKey of 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid?
The InChIKey is KMJHCRXYXYDZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO5/c1-27-19(16-9-12(22)3-7-17(16)28-10-18(24)25)15-8-11(21)2-6-14(15)20(26)23-13-4-5-13/h2-3,6-9,13,19H,4-5,10H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid?
2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid has a molecular weight of 424.28 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[5-chloro-2-(cyclopropylcarbamoyl)phenyl]-methoxymethyl]phenoxy]acetic acid is sourced from PubChem (CID 11998592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).