2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide

C14H20ClNO — CID 53416887

IUPAC2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H20ClNO/c1-4-9-16(14(17)10-15)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRUYIEXKOQBDXOV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.79
Rot. Bonds5

About 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide

2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide (PubChem CID 53416887) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide
PubChem CID53416887
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H20ClNO/c1-4-9-16(14(17)10-15)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyRUYIEXKOQBDXOV-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.79
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 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide?
The IUPAC name of 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide (CID 53416887) is 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide?
The canonical SMILES for 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide is CCCN(C(=O)CCl)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide?
The InChIKey is RUYIEXKOQBDXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-9-16(14(17)10-15)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide?
2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide has a molecular weight of 253.77 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide is sourced from PubChem (CID 53416887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).