2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid

C26H25Cl2NO5 — CID 25267684

IUPAC2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(OC(C)(C)C(=O)O)c(Cl)c2)cc1
InChIInChI=1S/C26H25Cl2NO5/c1-26(2,25(31)32)34-23-10-8-18(14-21(23)28)17-6-4-16(5-7-17)12-13-29-24(30)20-15-19(27)9-11-22(20)33-3/h4-11,14-15H,12-13H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyZKCRKYNNESXBHZ-UHFFFAOYSA-N
MW502.39 g/mol
LogP5.88
Rot. Bonds9

About 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid

2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid (PubChem CID 25267684) has the molecular formula C26H25Cl2NO5 and a molecular weight of 502.39 g/mol. Its IUPAC name is 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
PubChem CID25267684
Molecular FormulaC26H25Cl2NO5
Molecular Weight502.39 g/mol
Exact Mass501.11
IUPAC Name2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(OC(C)(C)C(=O)O)c(Cl)c2)cc1
InChIInChI=1S/C26H25Cl2NO5/c1-26(2,25(31)32)34-23-10-8-18(14-21(23)28)17-6-4-16(5-7-17)12-13-29-24(30)20-15-19(27)9-11-22(20)33-3/h4-11,14-15H,12-13H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyZKCRKYNNESXBHZ-UHFFFAOYSA-N
XLogP5.88
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.39
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[2,3-dichloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25270136
2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid
CID 58148748
2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
CID 25269110
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
2-[4-[4-[2-[(2-butoxy-5-chlorobenzoyl)amino]ethyl]phenyl]-2-cyanophenoxy]-2-methylpropanoic acid
CID 25267333
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148767
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 24752174
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid (CID 25267684) is 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid is COc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(OC(C)(C)C(=O)O)c(Cl)c2)cc1.
What is the InChIKey of 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is ZKCRKYNNESXBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2NO5/c1-26(2,25(31)32)34-23-10-8-18(14-21(23)28)17-6-4-16(5-7-17)12-13-29-24(30)20-15-19(27)9-11-22(20)33-3/h4-11,14-15H,12-13H2,1-3H3,(H,29,30)(H,31,32).
What are the key properties of 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid?
2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 502.39 g/mol, XLogP of 5.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 25267684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).