2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid

C24H21Cl2NO4 — CID 10276187

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid
SMILESCOc1ccc(C(C)C)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C24H21Cl2NO4/c1-13(2)14-5-9-22(31-3)18(10-14)15-4-8-21(19(11-15)24(29)30)27-23(28)17-7-6-16(25)12-20(17)26/h4-13H,1-3H3,(H,27,28)(H,29,30)
InChIKeyKUFAOIDYHHKGQZ-UHFFFAOYSA-N
MW458.34 g/mol
LogP6.74
Rot. Bonds6

About 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid

2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid (PubChem CID 10276187) has the molecular formula C24H21Cl2NO4 and a molecular weight of 458.34 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid
PubChem CID10276187
Molecular FormulaC24H21Cl2NO4
Molecular Weight458.34 g/mol
Exact Mass457.08
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid
SMILESCOc1ccc(C(C)C)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C24H21Cl2NO4/c1-13(2)14-5-9-22(31-3)18(10-14)15-4-8-21(19(11-15)24(29)30)27-23(28)17-7-6-16(25)12-20(17)26/h4-13H,1-3H3,(H,27,28)(H,29,30)
InChIKeyKUFAOIDYHHKGQZ-UHFFFAOYSA-N
XLogP6.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid with MolForge

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane
CID 158743170
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 4797555
2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
CID 10270857
2,4-dichloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37258917
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
2-chloro-5-[3-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methoxyphenyl]benzoic acid
CID 59219274

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid (CID 10276187) is 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid is COc1ccc(C(C)C)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid?
The InChIKey is KUFAOIDYHHKGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO4/c1-13(2)14-5-9-22(31-3)18(10-14)15-4-8-21(19(11-15)24(29)30)27-23(28)17-7-6-16(25)12-20(17)26/h4-13H,1-3H3,(H,27,28)(H,29,30).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid has a molecular weight of 458.34 g/mol, XLogP of 6.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid is sourced from PubChem (CID 10276187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).