CID 87804382

C20H20AsClFNO3 — CID 87804382

IUPAC—
SMILESO=C(c1ccccc1Cl)c1cc(F)c(OCCCN2CCOCC2)cc1[As]
InChIInChI=1S/C20H20AsClFNO3/c21-16-13-19(27-9-3-6-24-7-10-26-11-8-24)18(23)12-15(16)20(25)14-4-1-2-5-17(14)22/h1-2,4-5,12-13H,3,6-11H2
InChIKeyVQVMDYWVDKTDNB-UHFFFAOYSA-N
MW451.76 g/mol
LogP2.61
Rot. Bonds7

About CID 87804382

CID 87804382 (PubChem CID 87804382) has the molecular formula C20H20AsClFNO3 and a molecular weight of 451.76 g/mol.

Molecular Properties

Compound NameCID 87804382
PubChem CID87804382
Molecular FormulaC20H20AsClFNO3
Molecular Weight451.76 g/mol
Exact Mass451.03
IUPAC Name—
SMILESO=C(c1ccccc1Cl)c1cc(F)c(OCCCN2CCOCC2)cc1[As]
InChIInChI=1S/C20H20AsClFNO3/c21-16-13-19(27-9-3-6-24-7-10-26-11-8-24)18(23)12-15(16)20(25)14-4-1-2-5-17(14)22/h1-2,4-5,12-13H,3,6-11H2
InChIKeyVQVMDYWVDKTDNB-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.76
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 87804382 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

(2-amino-4,5-difluorophenyl)-(2-chlorophenyl)methanone;[2-amino-5-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-(2-chlorophenyl)methanone
CID 157172448
[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
CID 137338787
ethyl 2-amino-4-fluoro-5-(3-morpholin-4-ylpropoxy)benzoate
CID 59198226
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
CID 123911683
3-morpholin-4-ylpropyl N-[1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(methylamino)-2-oxoethyl]carbamate
CID 154203411
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090

Frequently Asked Questions

What is the IUPAC name of CID 87804382?
The IUPAC name of CID 87804382 (CID 87804382) is not available.
What is the SMILES notation for CID 87804382?
The canonical SMILES for CID 87804382 is O=C(c1ccccc1Cl)c1cc(F)c(OCCCN2CCOCC2)cc1[As].
What is the InChIKey of CID 87804382?
The InChIKey is VQVMDYWVDKTDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20AsClFNO3/c21-16-13-19(27-9-3-6-24-7-10-26-11-8-24)18(23)12-15(16)20(25)14-4-1-2-5-17(14)22/h1-2,4-5,12-13H,3,6-11H2.
What are the key properties of CID 87804382?
CID 87804382 has a molecular weight of 451.76 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87804382 is sourced from PubChem (CID 87804382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).