4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide

C19H21ClN2O3 — CID 4788581

IUPAC4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(C)NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(16-5-3-4-6-17(16)25-2)22-18(23)11-12-21-19(24)14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJOFPVNPIARDOPR-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.35
Rot. Bonds7

About 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide

4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide (PubChem CID 4788581) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
PubChem CID4788581
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(C)NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(16-5-3-4-6-17(16)25-2)22-18(23)11-12-21-19(24)14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJOFPVNPIARDOPR-UHFFFAOYSA-N
XLogP3.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide (CID 4788581) is 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide is COc1ccccc1C(C)NC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is JOFPVNPIARDOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(16-5-3-4-6-17(16)25-2)22-18(23)11-12-21-19(24)14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[1-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 4788581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).