5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide

C14H18Cl2FNO — CID 106144546

IUPAC5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H18Cl2FNO/c1-14(2,6-3-7-15)9-18-13(19)11-8-10(16)4-5-12(11)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyWZGRNYZVZGROOV-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.25
Rot. Bonds6

About 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide

5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide (PubChem CID 106144546) has the molecular formula C14H18Cl2FNO and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
PubChem CID106144546
Molecular FormulaC14H18Cl2FNO
Molecular Weight306.21 g/mol
Exact Mass305.07
IUPAC Name5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H18Cl2FNO/c1-14(2,6-3-7-15)9-18-13(19)11-8-10(16)4-5-12(11)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyWZGRNYZVZGROOV-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
CID 106144423
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
N-(4-chloro-2,2-dimethylbutyl)-2,3,4-trifluorobenzamide
CID 106142636
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
N-(5-chloro-2,2-dimethylpentyl)-2-fluoro-4-nitrobenzamide
CID 106144516
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625413
5-bromo-2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772446
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
2-bromo-N-(5-chloro-2,2-dimethylpentyl)-5-methylbenzamide
CID 106144084

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide (CID 106144546) is 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide is CC(C)(CCCCl)CNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide?
The InChIKey is WZGRNYZVZGROOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO/c1-14(2,6-3-7-15)9-18-13(19)11-8-10(16)4-5-12(11)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide?
5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide has a molecular weight of 306.21 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide is sourced from PubChem (CID 106144546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).