N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide

C13H15Cl2NO — CID 115455902

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1(CCl)CC1
InChIInChI=1S/C13H15Cl2NO/c14-8-13(5-6-13)9-16-12(17)7-10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17)
InChIKeyUIQUWTNMUHGIRN-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.02
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide (PubChem CID 115455902) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
PubChem CID115455902
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1(CCl)CC1
InChIInChI=1S/C13H15Cl2NO/c14-8-13(5-6-13)9-16-12(17)7-10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17)
InChIKeyUIQUWTNMUHGIRN-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.02
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

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
1-[[[2-(4-chlorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311997
2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484725
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 115455953
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
2-(3,4-difluorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716827
2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772654
2-[(4-chlorophenyl)methylsulfanyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80710808

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide (CID 115455902) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is UIQUWTNMUHGIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-8-13(5-6-13)9-16-12(17)7-10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 272.17 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 115455902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).