CID 10320704

C23H25Cl2NO3 — CID 10320704

IUPAC—
SMILESN#CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H25Cl2NO3/c24-19-2-1-16(12-20(19)25)21(13-26)3-5-22(6-4-21)27-23(29-28-22)17-8-14-7-15(10-17)11-18(23)9-14/h1-2,12,14-15,17-18H,3-11H2
InChIKeyNKRWNFIEDUKCPG-UHFFFAOYSA-N
MW434.36 g/mol
LogP6.16
Rot. Bonds1

About CID 10320704

CID 10320704 (PubChem CID 10320704) has the molecular formula C23H25Cl2NO3 and a molecular weight of 434.36 g/mol.

Molecular Properties

Compound NameCID 10320704
PubChem CID10320704
Molecular FormulaC23H25Cl2NO3
Molecular Weight434.36 g/mol
Exact Mass433.12
IUPAC Name—
SMILESN#CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H25Cl2NO3/c24-19-2-1-16(12-20(19)25)21(13-26)3-5-22(6-4-21)27-23(29-28-22)17-8-14-7-15(10-17)11-18(23)9-14/h1-2,12,14-15,17-18H,3-11H2
InChIKeyNKRWNFIEDUKCPG-UHFFFAOYSA-N
XLogP6.16
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 10317317
CID 10317317
8-(3,4-Dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 12595551
2-[2'-[(3-Chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-adamantane]-2'-yl]propanedinitrile
CID 59337126

Frequently Asked Questions

What is the IUPAC name of CID 10320704?
The IUPAC name of CID 10320704 (CID 10320704) is not available.
What is the SMILES notation for CID 10320704?
The canonical SMILES for CID 10320704 is N#CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 10320704?
The InChIKey is NKRWNFIEDUKCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO3/c24-19-2-1-16(12-20(19)25)21(13-26)3-5-22(6-4-21)27-23(29-28-22)17-8-14-7-15(10-17)11-18(23)9-14/h1-2,12,14-15,17-18H,3-11H2.
What are the key properties of CID 10320704?
CID 10320704 has a molecular weight of 434.36 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10320704 is sourced from PubChem (CID 10320704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).