2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide

C12H10ClN3O — CID 166404220

IUPAC2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C12H10ClN3O/c13-5-12(17)16-11-3-1-9(2-4-11)10-6-14-8-15-7-10/h1-4,6-8H,5H2,(H,16,17)
InChIKeyMLYKPRQOMQVIQG-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.32
Rot. Bonds3

About 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide

2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide (PubChem CID 166404220) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide
PubChem CID166404220
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C12H10ClN3O/c13-5-12(17)16-11-3-1-9(2-4-11)10-6-14-8-15-7-10/h1-4,6-8H,5H2,(H,16,17)
InChIKeyMLYKPRQOMQVIQG-UHFFFAOYSA-N
XLogP2.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyrimidin-5-ylphenyl)prop-2-enamide
CID 166406957
N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide
CID 110461708
2-chloro-N-[4-(2,6-diphenyl-4-pyridinyl)phenyl]acetamide
CID 67597420
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide
CID 71371451
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
CID 161093004
2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide
CID 166409220
2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
3-oxo-N-(3-pyrimidin-5-ylphenyl)butanamide
CID 110460628
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide (CID 166404220) is 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide is O=C(CCl)Nc1ccc(-c2cncnc2)cc1.
What is the InChIKey of 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide?
The InChIKey is MLYKPRQOMQVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-5-12(17)16-11-3-1-9(2-4-11)10-6-14-8-15-7-10/h1-4,6-8H,5H2,(H,16,17).
What are the key properties of 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide?
2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide has a molecular weight of 247.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide is sourced from PubChem (CID 166404220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).