N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide

C13H15BrClNO — CID 114315718

IUPACN-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCC(Br)C1CC1
InChIInChI=1S/C13H15BrClNO/c14-12(10-4-5-10)8-16-13(17)7-9-2-1-3-11(15)6-9/h1-3,6,10,12H,4-5,7-8H2,(H,16,17)
InChIKeyCZGBOAPYEKWYAQ-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.17
Rot. Bonds5

About N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide

N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide (PubChem CID 114315718) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
PubChem CID114315718
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCC(Br)C1CC1
InChIInChI=1S/C13H15BrClNO/c14-12(10-4-5-10)8-16-13(17)7-9-2-1-3-11(15)6-9/h1-3,6,10,12H,4-5,7-8H2,(H,16,17)
InChIKeyCZGBOAPYEKWYAQ-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide
CID 114315975
N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide
CID 114315688
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
CID 106288320
N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
CID 114315834
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
CID 62668200
2-(3-chlorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658434
N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114305087
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106128298
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576
N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide (CID 114315718) is N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide?
The InChIKey is CZGBOAPYEKWYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c14-12(10-4-5-10)8-16-13(17)7-9-2-1-3-11(15)6-9/h1-3,6,10,12H,4-5,7-8H2,(H,16,17).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide?
N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide has a molecular weight of 316.63 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 114315718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).