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

C17H14Cl2N2O5 — CID 3349728

IUPAC2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H14Cl2N2O5/c1-9(26-14-7-6-10(18)8-13(14)19)15(22)20-21-16(23)11-4-2-3-5-12(11)17(24)25/h2-9H,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyVVPRKMRVRPVCGC-UHFFFAOYSA-N
MW397.21 g/mol
LogP2.92
Rot. Bonds5

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

2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid (PubChem CID 3349728) has the molecular formula C17H14Cl2N2O5 and a molecular weight of 397.21 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
PubChem CID3349728
Molecular FormulaC17H14Cl2N2O5
Molecular Weight397.21 g/mol
Exact Mass396.03
IUPAC Name2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H14Cl2N2O5/c1-9(26-14-7-6-10(18)8-13(14)19)15(22)20-21-16(23)11-4-2-3-5-12(11)17(24)25/h2-9H,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyVVPRKMRVRPVCGC-UHFFFAOYSA-N
XLogP2.92
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic 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

1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
(2R)-2-(2,4-dichlorophenoxy)-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]propanamide
CID 41121207
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
CID 2210922
2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
2-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-2-oxo-N-phenylacetamide
CID 17078734
N-[[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamothioyl]benzamide
CID 40529986
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
CID 2943352
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid (CID 3349728) is 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid is CC(Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid?
The InChIKey is VVPRKMRVRPVCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O5/c1-9(26-14-7-6-10(18)8-13(14)19)15(22)20-21-16(23)11-4-2-3-5-12(11)17(24)25/h2-9H,1H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid?
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid has a molecular weight of 397.21 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid is sourced from PubChem (CID 3349728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).