CID 174078245

C22H26AlCl2N3O3 — CID 174078245

IUPAC—
SMILESO=C(CN[Al])NCCCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C22H26Cl2N3O3.Al/c23-17-9-7-10-18(24)22(17)27-19-11-4-3-8-16(19)14-21(29)30-13-6-2-1-5-12-26-20(28)15-25;/h3-4,7-11,25,27H,1-2,5-6,12-15H2,(H,26,28);/q-1;+1
InChIKeyAAFQRGNTLJMFJU-UHFFFAOYSA-N
MW478.36 g/mol
LogP4.17
Rot. Bonds13

About CID 174078245

CID 174078245 (PubChem CID 174078245) has the molecular formula C22H26AlCl2N3O3 and a molecular weight of 478.36 g/mol.

Molecular Properties

Compound NameCID 174078245
PubChem CID174078245
Molecular FormulaC22H26AlCl2N3O3
Molecular Weight478.36 g/mol
Exact Mass477.12
IUPAC Name—
SMILESO=C(CN[Al])NCCCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C22H26Cl2N3O3.Al/c23-17-9-7-10-18(24)22(17)27-19-11-4-3-8-16(19)14-21(29)30-13-6-2-1-5-12-26-20(28)15-25;/h3-4,7-11,25,27H,1-2,5-6,12-15H2,(H,26,28);/q-1;+1
InChIKeyAAFQRGNTLJMFJU-UHFFFAOYSA-N
XLogP4.17
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.36
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze CID 174078245 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

pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
CID 158403524
CID 158403524
2-[2-(2,6-dichloroanilino)phenyl]-N-(2-ethoxyethyl)acetamide
CID 126576343
3-(4-methylpiperidin-1-yl)propyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142844653
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 157152797
[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142648888

Frequently Asked Questions

What is the IUPAC name of CID 174078245?
The IUPAC name of CID 174078245 (CID 174078245) is not available.
What is the SMILES notation for CID 174078245?
The canonical SMILES for CID 174078245 is O=C(CN[Al])NCCCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of CID 174078245?
The InChIKey is AAFQRGNTLJMFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N3O3.Al/c23-17-9-7-10-18(24)22(17)27-19-11-4-3-8-16(19)14-21(29)30-13-6-2-1-5-12-26-20(28)15-25;/h3-4,7-11,25,27H,1-2,5-6,12-15H2,(H,26,28);/q-1;+1.
What are the key properties of CID 174078245?
CID 174078245 has a molecular weight of 478.36 g/mol, XLogP of 4.17, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174078245 is sourced from PubChem (CID 174078245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).