2-chloro-N-(2-chloropyrimidin-4-yl)acetamide

C6H5Cl2N3O — CID 116794848

IUPAC2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
SMILESO=C(CCl)Nc1ccnc(Cl)n1
InChIInChI=1S/C6H5Cl2N3O/c7-3-5(12)10-4-1-2-9-6(8)11-4/h1-2H,3H2,(H,9,10,11,12)
InChIKeyXDBYXYHEELWIMH-UHFFFAOYSA-N
MW206.03 g/mol
LogP1.31
Rot. Bonds2

About 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide

2-chloro-N-(2-chloropyrimidin-4-yl)acetamide (PubChem CID 116794848) has the molecular formula C6H5Cl2N3O and a molecular weight of 206.03 g/mol. Its IUPAC name is 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
PubChem CID116794848
Molecular FormulaC6H5Cl2N3O
Molecular Weight206.03 g/mol
Exact Mass204.98
IUPAC Name2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
SMILESO=C(CCl)Nc1ccnc(Cl)n1
InChIInChI=1S/C6H5Cl2N3O/c7-3-5(12)10-4-1-2-9-6(8)11-4/h1-2H,3H2,(H,9,10,11,12)
InChIKeyXDBYXYHEELWIMH-UHFFFAOYSA-N
XLogP1.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 51.31
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-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
CID 116795095
4-amino-N-(2-chloropyrimidin-4-yl)butanamide
CID 116795070
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(2-chloropyrimidin-4-yl)-2H-triazole-4-carboxamide
CID 116795222
1-[2-[(2-chloropyrimidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 116794778
N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide
CID 116795036
N-(2-chloropyrimidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 116798461
N-(2-chloropyrimidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]acetamide
CID 19423455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide (CID 116794848) is 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide is O=C(CCl)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide?
The InChIKey is XDBYXYHEELWIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O/c7-3-5(12)10-4-1-2-9-6(8)11-4/h1-2H,3H2,(H,9,10,11,12).
What are the key properties of 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide?
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide has a molecular weight of 206.03 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloropyrimidin-4-yl)acetamide is sourced from PubChem (CID 116794848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).