2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide

C14H19ClN2O2 — CID 2414087

IUPAC2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCl
InChIInChI=1S/C14H19ClN2O2/c1-3-8-17(14(19)9-15)10-13(18)16-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyIOXPLAHNJGONKH-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.41
Rot. Bonds6

About 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide

2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 2414087) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID2414087
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCl
InChIInChI=1S/C14H19ClN2O2/c1-3-8-17(14(19)9-15)10-13(18)16-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyIOXPLAHNJGONKH-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide (CID 2414087) is 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is IOXPLAHNJGONKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-8-17(14(19)9-15)10-13(18)16-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide?
2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2414087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).