Propachlor

C11H14ClNO — CID 4931

IUPAC2-chloro-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C1=CC=CC=C1)C(=O)CCl
InChIInChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyMFOUDYKPLGXPGO-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.20
Rot. Bonds3

About Propachlor

Propachlor (PubChem CID 4931) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NamePropachlor
PubChem CID4931
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C1=CC=CC=C1)C(=O)CCl
InChIInChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyMFOUDYKPLGXPGO-UHFFFAOYSA-N
XLogP2.20
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity188

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 Propachlor?
The IUPAC name of Propachlor (CID 4931) is 2-chloro-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for Propachlor?
The canonical SMILES for Propachlor is CC(C)N(C1=CC=CC=C1)C(=O)CCl.
What is the InChIKey of Propachlor?
The InChIKey is MFOUDYKPLGXPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of Propachlor?
Propachlor has a molecular weight of 211.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Propachlor is sourced from PubChem (CID 4931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).