2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide

C13H14Cl3NO — CID 13279949

IUPAC2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
SMILESO=C(CCl)NCC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C13H14Cl3NO/c14-7-12(18)17-8-13(4-1-5-13)9-2-3-10(15)11(16)6-9/h2-3,6H,1,4-5,7-8H2,(H,17,18)
InChIKeyONJGUGZSDBLJMD-UHFFFAOYSA-N
MW306.62 g/mol
LogP3.77
Rot. Bonds4

About 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide

2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide (PubChem CID 13279949) has the molecular formula C13H14Cl3NO and a molecular weight of 306.62 g/mol. Its IUPAC name is 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
PubChem CID13279949
Molecular FormulaC13H14Cl3NO
Molecular Weight306.62 g/mol
Exact Mass305.01
IUPAC Name2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
SMILESO=C(CCl)NCC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C13H14Cl3NO/c14-7-12(18)17-8-13(4-1-5-13)9-2-3-10(15)11(16)6-9/h2-3,6H,1,4-5,7-8H2,(H,17,18)
InChIKeyONJGUGZSDBLJMD-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide (CID 13279949) is 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide is O=C(CCl)NCC1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide?
The InChIKey is ONJGUGZSDBLJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO/c14-7-12(18)17-8-13(4-1-5-13)9-2-3-10(15)11(16)6-9/h2-3,6H,1,4-5,7-8H2,(H,17,18).
What are the key properties of 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide?
2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide has a molecular weight of 306.62 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 13279949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).