3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide

C24H27Cl2F2NO2 — CID 91722711

IUPAC3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide
SMILESCCCCCCCCCCN(C(=O)c1cccc(Cl)c1F)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C24H27Cl2F2NO2/c1-2-3-4-5-6-7-8-9-16-29(23(30)17-12-10-14-19(25)21(17)27)24(31)18-13-11-15-20(26)22(18)28/h10-15H,2-9,16H2,1H3
InChIKeyVRSAEYKIDHDRRJ-UHFFFAOYSA-N
MW470.39 g/mol
LogP7.69
Rot. Bonds11

About 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide

3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide (PubChem CID 91722711) has the molecular formula C24H27Cl2F2NO2 and a molecular weight of 470.39 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide
PubChem CID91722711
Molecular FormulaC24H27Cl2F2NO2
Molecular Weight470.39 g/mol
Exact Mass469.14
IUPAC Name3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide
SMILESCCCCCCCCCCN(C(=O)c1cccc(Cl)c1F)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C24H27Cl2F2NO2/c1-2-3-4-5-6-7-8-9-16-29(23(30)17-12-10-14-19(25)21(17)27)24(31)18-13-11-15-20(26)22(18)28/h10-15H,2-9,16H2,1H3
InChIKeyVRSAEYKIDHDRRJ-UHFFFAOYSA-N
XLogP7.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.39
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide (CID 91722711) is 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide is CCCCCCCCCCN(C(=O)c1cccc(Cl)c1F)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide?
The InChIKey is VRSAEYKIDHDRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2F2NO2/c1-2-3-4-5-6-7-8-9-16-29(23(30)17-12-10-14-19(25)21(17)27)24(31)18-13-11-15-20(26)22(18)28/h10-15H,2-9,16H2,1H3.
What are the key properties of 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide?
3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide has a molecular weight of 470.39 g/mol, XLogP of 7.69, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-2-fluorobenzoyl)-N-decyl-2-fluorobenzamide is sourced from PubChem (CID 91722711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).