5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide

C13H16Cl2FNO — CID 106143106

IUPAC5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
SMILESCC(C)(CCCl)CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16Cl2FNO/c1-13(2,5-6-14)8-17-12(18)10-7-9(15)3-4-11(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyOCEOBFHNPOPVJM-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.86
Rot. Bonds5

About 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide

5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide (PubChem CID 106143106) has the molecular formula C13H16Cl2FNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
PubChem CID106143106
Molecular FormulaC13H16Cl2FNO
Molecular Weight292.18 g/mol
Exact Mass291.06
IUPAC Name5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
SMILESCC(C)(CCCl)CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16Cl2FNO/c1-13(2,5-6-14)8-17-12(18)10-7-9(15)3-4-11(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyOCEOBFHNPOPVJM-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.86
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-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546
N-(4-chloro-2,2-dimethylbutyl)-2,3,4-trifluorobenzamide
CID 106142636
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-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
N-(4-chloro-2,2-dimethylbutyl)-3,4-difluorobenzamide
CID 114149366
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
5-bromo-2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772446
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
CID 114149347

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide (CID 106143106) is 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide is CC(C)(CCCl)CNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide?
The InChIKey is OCEOBFHNPOPVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FNO/c1-13(2,5-6-14)8-17-12(18)10-7-9(15)3-4-11(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide?
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide has a molecular weight of 292.18 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide is sourced from PubChem (CID 106143106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).