4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid

C16H12Cl3NO4 — CID 2943352

IUPAC4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C16H12Cl3NO4/c1-8(24-14-5-3-9(17)6-12(14)19)15(21)20-13-7-10(18)2-4-11(13)16(22)23/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyRJVJOZRPKYNXKZ-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.75
Rot. Bonds5

About 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid

4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid (PubChem CID 2943352) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
PubChem CID2943352
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Name4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C16H12Cl3NO4/c1-8(24-14-5-3-9(17)6-12(14)19)15(21)20-13-7-10(18)2-4-11(13)16(22)23/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyRJVJOZRPKYNXKZ-UHFFFAOYSA-N
XLogP4.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501
2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 4249290
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid (CID 2943352) is 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid?
The InChIKey is RJVJOZRPKYNXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c1-8(24-14-5-3-9(17)6-12(14)19)15(21)20-13-7-10(18)2-4-11(13)16(22)23/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid?
4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid has a molecular weight of 388.63 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid is sourced from PubChem (CID 2943352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).