2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide

C13H16ClNO2 — CID 17476178

IUPAC2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16ClNO2/c1-13(2,12(16)15-10-5-6-10)17-11-7-3-9(14)4-8-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)
InChIKeyGGTNTYHRZBNKDA-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.78
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide

2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide (PubChem CID 17476178) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide
PubChem CID17476178
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16ClNO2/c1-13(2,12(16)15-10-5-6-10)17-11-7-3-9(14)4-8-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)
InChIKeyGGTNTYHRZBNKDA-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide (CID 17476178) is 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide?
The InChIKey is GGTNTYHRZBNKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-13(2,12(16)15-10-5-6-10)17-11-7-3-9(14)4-8-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide?
2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide has a molecular weight of 253.73 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 17476178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).