2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide

C10H12ClF2N3O — CID 146095109

IUPAC2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide
SMILESCC(Cl)C(=O)NC(C)c1nccc(C(F)F)n1
InChIInChI=1S/C10H12ClF2N3O/c1-5(11)10(17)15-6(2)9-14-4-3-7(16-9)8(12)13/h3-6,8H,1-2H3,(H,15,17)
InChIKeyNKOGHBXGTSDEGB-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.22
Rot. Bonds4

About 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide

2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide (PubChem CID 146095109) has the molecular formula C10H12ClF2N3O and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide
PubChem CID146095109
Molecular FormulaC10H12ClF2N3O
Molecular Weight263.68 g/mol
Exact Mass263.06
IUPAC Name2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide
SMILESCC(Cl)C(=O)NC(C)c1nccc(C(F)F)n1
InChIInChI=1S/C10H12ClF2N3O/c1-5(11)10(17)15-6(2)9-14-4-3-7(16-9)8(12)13/h3-6,8H,1-2H3,(H,15,17)
InChIKeyNKOGHBXGTSDEGB-UHFFFAOYSA-N
XLogP2.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
The IUPAC name of 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide (CID 146095109) is 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide is CC(Cl)C(=O)NC(C)c1nccc(C(F)F)n1.
What is the InChIKey of 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
The InChIKey is NKOGHBXGTSDEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3O/c1-5(11)10(17)15-6(2)9-14-4-3-7(16-9)8(12)13/h3-6,8H,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide?
2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide has a molecular weight of 263.68 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide is sourced from PubChem (CID 146095109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).