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

C18H18ClNO4 — CID 23453045

IUPAC2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C18H18ClNO4/c1-24-16-7-6-14(19)11-15(16)18(23)20-9-8-12-2-4-13(5-3-12)10-17(21)22/h2-7,11H,8-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyJPPXVKFDEFETOG-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.95
Rot. Bonds7

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

2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid (PubChem CID 23453045) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
PubChem CID23453045
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C18H18ClNO4/c1-24-16-7-6-14(19)11-15(16)18(23)20-9-8-12-2-4-13(5-3-12)10-17(21)22/h2-7,11H,8-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyJPPXVKFDEFETOG-UHFFFAOYSA-N
XLogP2.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
2-[4-[2-[(2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453032
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
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
2-[2-chloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25267684
2-[2,3-dichloro-4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 25270136

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid (CID 23453045) is 2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid is COc1ccc(Cl)cc1C(=O)NCCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid?
The InChIKey is JPPXVKFDEFETOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-24-16-7-6-14(19)11-15(16)18(23)20-9-8-12-2-4-13(5-3-12)10-17(21)22/h2-7,11H,8-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid?
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid has a molecular weight of 347.80 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid is sourced from PubChem (CID 23453045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).