N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide

C12H10ClN3O2 — CID 106716721

IUPACN-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C12H10ClN3O2/c13-10-3-1-2-4-11(10)15-12(18)6-16-5-9(7-17)14-8-16/h1-5,7-8H,6H2,(H,15,18)
InChIKeyYDZZJDFYKQTUIZ-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.99
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide

N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide (PubChem CID 106716721) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide
PubChem CID106716721
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C12H10ClN3O2/c13-10-3-1-2-4-11(10)15-12(18)6-16-5-9(7-17)14-8-16/h1-5,7-8H,6H2,(H,15,18)
InChIKeyYDZZJDFYKQTUIZ-UHFFFAOYSA-N
XLogP1.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
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CID 136530728
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
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2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
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N-(2-chlorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098536
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 114583560
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
1-[2-(2-methylanilino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717030
N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide (CID 106716721) is N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide is O=Cc1cn(CC(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide?
The InChIKey is YDZZJDFYKQTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-10-3-1-2-4-11(10)15-12(18)6-16-5-9(7-17)14-8-16/h1-5,7-8H,6H2,(H,15,18).
What are the key properties of N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide?
N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide has a molecular weight of 263.68 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide is sourced from PubChem (CID 106716721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).