3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid

C24H21Cl2NO4 — CID 59219280

IUPAC3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid
SMILESCOc1ccc(-c2cccc(CCC(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H21Cl2NO4/c1-31-22-9-6-17(16-4-2-3-15(11-16)5-10-23(28)29)12-18(22)14-27-24(30)20-8-7-19(25)13-21(20)26/h2-4,6-9,11-13H,5,10,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyMEKUWMHKSATORA-UHFFFAOYSA-N
MW458.34 g/mol
LogP5.62
Rot. Bonds8

About 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid

3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid (PubChem CID 59219280) has the molecular formula C24H21Cl2NO4 and a molecular weight of 458.34 g/mol. Its IUPAC name is 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid
PubChem CID59219280
Molecular FormulaC24H21Cl2NO4
Molecular Weight458.34 g/mol
Exact Mass457.08
IUPAC Name3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid
SMILESCOc1ccc(-c2cccc(CCC(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H21Cl2NO4/c1-31-22-9-6-17(16-4-2-3-15(11-16)5-10-23(28)29)12-18(22)14-27-24(30)20-8-7-19(25)13-21(20)26/h2-4,6-9,11-13H,5,10,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyMEKUWMHKSATORA-UHFFFAOYSA-N
XLogP5.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid with MolForge

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Related Compounds

2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid
CID 59219274
2-[[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]methylidene]butanoic acid
CID 68634431
3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]-2-fluorobenzoic acid
CID 59219006
2,4-dichloro-N-[[5-(2-fluoro-3-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092722
2,4-dichloro-N-[[5-(5-formylfuran-2-yl)-2-methoxyphenyl]methyl]benzamide
CID 89092764
2,4-dichloro-N-[[5-(2-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092609
2,4-dichloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide
CID 89092727
5-[3-[[(2-chloro-4-propan-2-yloxybenzoyl)amino]methyl]-4-methoxyphenyl]-2-methoxybenzoic acid
CID 59219194
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
2-[3-[3-[[(3,4-dichlorophenyl)methoxycarbonylamino]methyl]-4-methoxyphenyl]phenyl]acetic acid
CID 59219299
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid?
The IUPAC name of 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid (CID 59219280) is 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid is COc1ccc(-c2cccc(CCC(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid?
The InChIKey is MEKUWMHKSATORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO4/c1-31-22-9-6-17(16-4-2-3-15(11-16)5-10-23(28)29)12-18(22)14-27-24(30)20-8-7-19(25)13-21(20)26/h2-4,6-9,11-13H,5,10,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid?
3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid has a molecular weight of 458.34 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]phenyl]propanoic acid is sourced from PubChem (CID 59219280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).