3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide

C23H25Cl2F2NO2 — CID 91722710

IUPAC3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide
SMILESCCCCCCCCCN(C(=O)c1cccc(Cl)c1F)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C23H25Cl2F2NO2/c1-2-3-4-5-6-7-8-15-28(22(29)16-11-9-13-18(24)20(16)26)23(30)17-12-10-14-19(25)21(17)27/h9-14H,2-8,15H2,1H3
InChIKeyVMVOMWOEAYGHNA-UHFFFAOYSA-N
MW456.36 g/mol
LogP7.30
Rot. Bonds10

About 3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide

3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide (PubChem CID 91722710) has the molecular formula C23H25Cl2F2NO2 and a molecular weight of 456.36 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide
PubChem CID91722710
Molecular FormulaC23H25Cl2F2NO2
Molecular Weight456.36 g/mol
Exact Mass455.12
IUPAC Name3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide
SMILESCCCCCCCCCN(C(=O)c1cccc(Cl)c1F)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C23H25Cl2F2NO2/c1-2-3-4-5-6-7-8-15-28(22(29)16-11-9-13-18(24)20(16)26)23(30)17-12-10-14-19(25)21(17)27/h9-14H,2-8,15H2,1H3
InChIKeyVMVOMWOEAYGHNA-UHFFFAOYSA-N
XLogP7.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.36
LogP ≤ 57.30
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)-2-fluoro-N-nonylbenzamide?
The IUPAC name of 3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide (CID 91722710) is 3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide?
The canonical SMILES for 3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide is CCCCCCCCCN(C(=O)c1cccc(Cl)c1F)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide?
The InChIKey is VMVOMWOEAYGHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2F2NO2/c1-2-3-4-5-6-7-8-15-28(22(29)16-11-9-13-18(24)20(16)26)23(30)17-12-10-14-19(25)21(17)27/h9-14H,2-8,15H2,1H3.
What are the key properties of 3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide?
3-chloro-N-(3-chloro-2-fluorobenzoyl)-2-fluoro-N-nonylbenzamide has a molecular weight of 456.36 g/mol, XLogP of 7.30, 10 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)-2-fluoro-N-nonylbenzamide is sourced from PubChem (CID 91722710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).