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

C24H22ClNO4 — CID 25269110

IUPAC2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C24H22ClNO4/c1-30-22-11-10-20(25)15-21(22)24(29)26-13-12-16-2-6-18(7-3-16)19-8-4-17(5-9-19)14-23(27)28/h2-11,15H,12-14H2,1H3,(H,26,29)(H,27,28)
InChIKeyQDAUJVFDYZPBMC-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.62
Rot. Bonds8

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

2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid (PubChem CID 25269110) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
PubChem CID25269110
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C24H22ClNO4/c1-30-22-11-10-20(25)15-21(22)24(29)26-13-12-16-2-6-18(7-3-16)19-8-4-17(5-9-19)14-23(27)28/h2-11,15H,12-14H2,1H3,(H,26,29)(H,27,28)
InChIKeyQDAUJVFDYZPBMC-UHFFFAOYSA-N
XLogP4.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25267684
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
2-[4-[2-[(2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453032
2-[2,3-dichloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25270136
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148767
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
CID 10689023

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid (CID 25269110) is 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid is COc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid?
The InChIKey is QDAUJVFDYZPBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-30-22-11-10-20(25)15-21(22)24(29)26-13-12-16-2-6-18(7-3-16)19-8-4-17(5-9-19)14-23(27)28/h2-11,15H,12-14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid?
2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid has a molecular weight of 423.90 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 25269110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).