2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide

C13H15Cl2NO — CID 166404207

IUPAC2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
SMILESO=C(CCl)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H15Cl2NO/c14-8-12(17)16-9-13(6-1-7-13)10-2-4-11(15)5-3-10/h2-5H,1,6-9H2,(H,16,17)
InChIKeyMBZMXERMWNPQCB-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide

2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide (PubChem CID 166404207) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
PubChem CID166404207
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
SMILESO=C(CCl)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H15Cl2NO/c14-8-12(17)16-9-13(6-1-7-13)10-2-4-11(15)5-3-10/h2-5H,1,6-9H2,(H,16,17)
InChIKeyMBZMXERMWNPQCB-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.12
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-chloro-N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]acetamide
CID 13279949
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide
CID 122154894
3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
CID 119951110
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772654
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589
2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide
CID 119769979
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide (CID 166404207) is 2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide is O=C(CCl)NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide?
The InChIKey is MBZMXERMWNPQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-8-12(17)16-9-13(6-1-7-13)10-2-4-11(15)5-3-10/h2-5H,1,6-9H2,(H,16,17).
What are the key properties of 2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide?
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide has a molecular weight of 272.18 g/mol, XLogP of 3.12, 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-(4-chlorophenyl)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 166404207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).