2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide

C12H10ClN3O — CID 43699755

IUPAC2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
SMILESO=C(CCl)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C12H10ClN3O/c13-6-11(17)16-10-7-14-12(15-8-10)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
InChIKeyYBNYMKRMRZZRJX-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.32
Rot. Bonds3

About 2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide

2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide (PubChem CID 43699755) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
PubChem CID43699755
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
SMILESO=C(CCl)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C12H10ClN3O/c13-6-11(17)16-10-7-14-12(15-8-10)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
InChIKeyYBNYMKRMRZZRJX-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-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
2-methylsulfanyl-N-(2-phenylpyrimidin-5-yl)acetamide
CID 47128547
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide
CID 134009428
2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide
CID 134056276
N-(2-phenylpyrimidin-5-yl)-2-piperidin-4-ylacetamide
CID 119697450
3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009235
3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009303
3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 46528559
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009215
2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
CID 27692565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide (CID 43699755) is 2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide is O=C(CCl)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide?
The InChIKey is YBNYMKRMRZZRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-6-11(17)16-10-7-14-12(15-8-10)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17).
What are the key properties of 2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide?
2-chloro-N-(2-phenylpyrimidin-5-yl)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-(2-phenylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 43699755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).