2-chloro-N-(3-imidazol-1-ylpropyl)acetamide

C8H12ClN3O — CID 3428627

IUPAC2-chloro-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(CCl)NCCCn1ccnc1
InChIInChI=1S/C8H12ClN3O/c9-6-8(13)11-2-1-4-12-5-3-10-7-12/h3,5,7H,1-2,4,6H2,(H,11,13)
InChIKeyKOOYMNNVSIFQGN-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.63
Rot. Bonds5

About 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide

2-chloro-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 3428627) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID3428627
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-chloro-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(CCl)NCCCn1ccnc1
InChIInChI=1S/C8H12ClN3O/c9-6-8(13)11-2-1-4-12-5-3-10-7-12/h3,5,7H,1-2,4,6H2,(H,11,13)
InChIKeyKOOYMNNVSIFQGN-UHFFFAOYSA-N
XLogP0.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-imidazol-1-ylpropyl)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-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
2,2,2-trichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 2889672
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
N-butyl-2-imidazol-1-yl-acetamide
CID 44139807
2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 3362018
N-(3-imidazolylpropyl)propanamide
CID 4135721
N-(3-imidazol-1-ylpropyl)acetamide
CID 5197470
N-[3-(1H-Imidazol-1-yl)propyl]prop-2-enamide
CID 43616372
N-((r,s)-1-imidazol-1-yl-butyl)-acetamide
CID 101676780
3-imidazol-1-yl-N-pentylpropanamide
CID 4876351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide (CID 3428627) is 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide is O=C(CCl)NCCCn1ccnc1.
What is the InChIKey of 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is KOOYMNNVSIFQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c9-6-8(13)11-2-1-4-12-5-3-10-7-12/h3,5,7H,1-2,4,6H2,(H,11,13).
What are the key properties of 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide?
2-chloro-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 201.66 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 3428627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).