2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide

C19H21ClN2O4 — CID 18129613

IUPAC2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-25-16-8-4-5-9-17(16)26-13-12-21-18(23)10-11-22-19(24)14-6-2-3-7-15(14)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNTEDUKPUMJAFFK-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.66
Rot. Bonds9

About 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide

2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide (PubChem CID 18129613) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
PubChem CID18129613
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-25-16-8-4-5-9-17(16)26-13-12-21-18(23)10-11-22-19(24)14-6-2-3-7-15(14)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNTEDUKPUMJAFFK-UHFFFAOYSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide (CID 18129613) is 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide is COc1ccccc1OCCNC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is NTEDUKPUMJAFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-16-8-4-5-9-17(16)26-13-12-21-18(23)10-11-22-19(24)14-6-2-3-7-15(14)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18129613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).