2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid

C16H13Cl2NO4 — CID 12771080

IUPAC2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)C(=O)O
InChIInChI=1S/C16H13Cl2NO4/c1-9(16(21)22)23-11-7-5-10(6-8-11)15(20)19-13-4-2-3-12(17)14(13)18/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyGQLQTZATLJKQAR-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.10
Rot. Bonds5

About 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid

2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid (PubChem CID 12771080) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
PubChem CID12771080
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)C(=O)O
InChIInChI=1S/C16H13Cl2NO4/c1-9(16(21)22)23-11-7-5-10(6-8-11)15(20)19-13-4-2-3-12(17)14(13)18/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyGQLQTZATLJKQAR-UHFFFAOYSA-N
XLogP4.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide
CID 12771069
N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide
CID 78843025
N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
CID 4951768
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
(2S)-2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 7018110
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
(2R)-2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoic acid
CID 7137692
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid (CID 12771080) is 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid is CC(Oc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid?
The InChIKey is GQLQTZATLJKQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c1-9(16(21)22)23-11-7-5-10(6-8-11)15(20)19-13-4-2-3-12(17)14(13)18/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid?
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid has a molecular weight of 354.19 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid is sourced from PubChem (CID 12771080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).