N-(4-chlorophenoxy)propanamide

C9H10ClNO2 — CID 87714410

IUPACN-(4-chlorophenoxy)propanamide
SMILESCCC(=O)NOc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-2-9(12)11-13-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyFLTAEQZEDJREOA-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.16
Rot. Bonds3

About N-(4-chlorophenoxy)propanamide

N-(4-chlorophenoxy)propanamide (PubChem CID 87714410) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is N-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenoxy)propanamide
PubChem CID87714410
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC NameN-(4-chlorophenoxy)propanamide
SMILESCCC(=O)NOc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-2-9(12)11-13-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyFLTAEQZEDJREOA-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenoxy)propanamide?
The IUPAC name of N-(4-chlorophenoxy)propanamide (CID 87714410) is N-(4-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-chlorophenoxy)propanamide is CCC(=O)NOc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenoxy)propanamide?
The InChIKey is FLTAEQZEDJREOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-9(12)11-13-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of N-(4-chlorophenoxy)propanamide?
N-(4-chlorophenoxy)propanamide has a molecular weight of 199.64 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 87714410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).