2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide

C13H13Cl2N3O — CID 115649653

IUPAC2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ncc[nH]1
InChIInChI=1S/C13H13Cl2N3O/c14-10-2-1-9(7-11(10)15)8-13(19)18-4-3-12-16-5-6-17-12/h1-2,5-7H,3-4,8H2,(H,16,17)(H,18,19)
InChIKeyUBUUZEWHBMDTLM-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.62
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide

2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide (PubChem CID 115649653) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
PubChem CID115649653
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ncc[nH]1
InChIInChI=1S/C13H13Cl2N3O/c14-10-2-1-9(7-11(10)15)8-13(19)18-4-3-12-16-5-6-17-12/h1-2,5-7H,3-4,8H2,(H,16,17)(H,18,19)
InChIKeyUBUUZEWHBMDTLM-UHFFFAOYSA-N
XLogP2.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125
2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546984
N-[2-(1H-imidazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 115620119
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 115620121
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
CID 100742829
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115649606
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide (CID 115649653) is 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ncc[nH]1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The InChIKey is UBUUZEWHBMDTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-10-2-1-9(7-11(10)15)8-13(19)18-4-3-12-16-5-6-17-12/h1-2,5-7H,3-4,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide has a molecular weight of 298.17 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 115649653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).