N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide

C12H16ClNO3 — CID 2226242

IUPACN-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C12H16ClNO3/c1-3-17-7-6-12(15)14-10-8-9(13)4-5-11(10)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyNNYLTQZUASGJAP-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.71
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide

N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide (PubChem CID 2226242) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide
PubChem CID2226242
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C12H16ClNO3/c1-3-17-7-6-12(15)14-10-8-9(13)4-5-11(10)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyNNYLTQZUASGJAP-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide (CID 2226242) is N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide is CCOCCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide?
The InChIKey is NNYLTQZUASGJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-17-7-6-12(15)14-10-8-9(13)4-5-11(10)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide?
N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide has a molecular weight of 257.72 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide is sourced from PubChem (CID 2226242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).