N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide

C12H16ClFN2O2 — CID 4797493

IUPACN-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide
SMILESCOCCNC(C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-8(15-5-6-18-2)12(17)16-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeySZLVYCAPEVDXIR-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.04
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide

N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide (PubChem CID 4797493) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide
PubChem CID4797493
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide
SMILESCOCCNC(C)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-8(15-5-6-18-2)12(17)16-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeySZLVYCAPEVDXIR-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide (CID 4797493) is N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide is COCCNC(C)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide?
The InChIKey is SZLVYCAPEVDXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-8(15-5-6-18-2)12(17)16-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide?
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide has a molecular weight of 274.72 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanamide is sourced from PubChem (CID 4797493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).