N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide

C15H20ClF2NO — CID 106144164

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
SMILESCC(C)(CCCCl)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C15H20ClF2NO/c1-15(2,7-4-8-16)10-19-13(20)9-11-5-3-6-12(17)14(11)18/h3,5-6H,4,7-10H2,1-2H3,(H,19,20)
InChIKeyKCWWKHKWCPTLIR-UHFFFAOYSA-N
MW303.78 g/mol
LogP3.67
Rot. Bonds7

About N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide

N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide (PubChem CID 106144164) has the molecular formula C15H20ClF2NO and a molecular weight of 303.78 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
PubChem CID106144164
Molecular FormulaC15H20ClF2NO
Molecular Weight303.78 g/mol
Exact Mass303.12
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
SMILESCC(C)(CCCCl)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C15H20ClF2NO/c1-15(2,7-4-8-16)10-19-13(20)9-11-5-3-6-12(17)14(11)18/h3,5-6H,4,7-10H2,1-2H3,(H,19,20)
InChIKeyKCWWKHKWCPTLIR-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 53.67
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

2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
N-(6-chlorohexyl)-2-(2,3-difluorophenyl)acetamide
CID 107846727
N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106145428
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487486
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-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide (CID 106144164) is N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide is CC(C)(CCCCl)CNC(=O)Cc1cccc(F)c1F.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide?
The InChIKey is KCWWKHKWCPTLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2NO/c1-15(2,7-4-8-16)10-19-13(20)9-11-5-3-6-12(17)14(11)18/h3,5-6H,4,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide?
N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide has a molecular weight of 303.78 g/mol, XLogP of 3.67, 7 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-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 106144164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).