4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide

C23H27Cl2NO2 — CID 161399443

IUPAC4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide
SMILESO=C(CCCCCCCNC(=O)c1ccc(CCl)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C23H27Cl2NO2/c24-16-18-7-11-20(12-8-18)22(27)6-4-2-1-3-5-15-26-23(28)21-13-9-19(17-25)10-14-21/h7-14H,1-6,15-17H2,(H,26,28)
InChIKeyKNCZRDAMVQHPGT-UHFFFAOYSA-N
MW420.38 g/mol
LogP6.12
Rot. Bonds12

About 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide

4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide (PubChem CID 161399443) has the molecular formula C23H27Cl2NO2 and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide
PubChem CID161399443
Molecular FormulaC23H27Cl2NO2
Molecular Weight420.38 g/mol
Exact Mass419.14
IUPAC Name4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide
SMILESO=C(CCCCCCCNC(=O)c1ccc(CCl)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C23H27Cl2NO2/c24-16-18-7-11-20(12-8-18)22(27)6-4-2-1-3-5-15-26-23(28)21-13-9-19(17-25)10-14-21/h7-14H,1-6,15-17H2,(H,26,28)
InChIKeyKNCZRDAMVQHPGT-UHFFFAOYSA-N
XLogP6.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide (CID 161399443) is 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide is O=C(CCCCCCCNC(=O)c1ccc(CCl)cc1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide?
The InChIKey is KNCZRDAMVQHPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2NO2/c24-16-18-7-11-20(12-8-18)22(27)6-4-2-1-3-5-15-26-23(28)21-13-9-19(17-25)10-14-21/h7-14H,1-6,15-17H2,(H,26,28).
What are the key properties of 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide?
4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide has a molecular weight of 420.38 g/mol, XLogP of 6.12, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[8-[4-(chloromethyl)phenyl]-8-oxooctyl]benzamide is sourced from PubChem (CID 161399443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).