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

C14H18ClF2NO — CID 106144423

IUPACN-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H18ClF2NO/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)
InChIKeyVCLIBDCLASLSCA-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.74
Rot. Bonds6

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

N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide (PubChem CID 106144423) has the molecular formula C14H18ClF2NO and a molecular weight of 289.75 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
PubChem CID106144423
Molecular FormulaC14H18ClF2NO
Molecular Weight289.75 g/mol
Exact Mass289.10
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H18ClF2NO/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)
InChIKeyVCLIBDCLASLSCA-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.74
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-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
N-(5-chloro-2,2-dimethylpentyl)-5-fluoro-2-nitrobenzamide
CID 106144371
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770
2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111479742
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
CID 106140917
N-(4-chloro-2,2-dimethylbutyl)-2,3,4-trifluorobenzamide
CID 106142636
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide (CID 106144423) is N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide is CC(C)(CCCCl)CNC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide?
The InChIKey is VCLIBDCLASLSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO/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 N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide?
N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide has a molecular weight of 289.75 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide is sourced from PubChem (CID 106144423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).