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

C27H28ClNO6 — CID 58148748

IUPAC2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(OC(C)(C)C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C27H28ClNO6/c1-27(2,26(31)32)35-20-9-6-18(7-10-20)21-11-5-17(15-24(21)34-4)13-14-29-25(30)22-16-19(28)8-12-23(22)33-3/h5-12,15-16H,13-14H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyVIJNUTXDGRXOGS-UHFFFAOYSA-N
MW497.98 g/mol
LogP5.24
Rot. Bonds10

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

2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid (PubChem CID 58148748) has the molecular formula C27H28ClNO6 and a molecular weight of 497.98 g/mol. Its IUPAC name is 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid
PubChem CID58148748
Molecular FormulaC27H28ClNO6
Molecular Weight497.98 g/mol
Exact Mass497.16
IUPAC Name2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(OC(C)(C)C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C27H28ClNO6/c1-27(2,26(31)32)35-20-9-6-18(7-10-20)21-11-5-17(15-24(21)34-4)13-14-29-25(30)22-16-19(28)8-12-23(22)33-3/h5-12,15-16H,13-14H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyVIJNUTXDGRXOGS-UHFFFAOYSA-N
XLogP5.24
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.98
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]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-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25267684
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 1107035
2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 24752174
2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
CID 25269110
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]hexan-2-yl]phenoxy]-2-methylpropanoic acid
CID 24752318
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
2-[4-[4-[2-[(2-butoxy-5-chlorobenzoyl)amino]ethyl]phenyl]-2-cyanophenoxy]-2-methylpropanoic acid
CID 25267333

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid (CID 58148748) is 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid is COc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(OC(C)(C)C(=O)O)cc2)c(OC)c1.
What is the InChIKey of 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is VIJNUTXDGRXOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClNO6/c1-27(2,26(31)32)35-20-9-6-18(7-10-20)21-11-5-17(15-24(21)34-4)13-14-29-25(30)22-16-19(28)8-12-23(22)33-3/h5-12,15-16H,13-14H2,1-4H3,(H,29,30)(H,31,32).
What are the key properties of 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid?
2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 497.98 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxyphenyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 58148748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).