2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide

C22H25ClFN3O3 — CID 18136223

IUPAC2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H25ClFN3O3/c23-19-4-2-1-3-18(19)22(29)25-10-9-21(28)26-15-20(27-11-13-30-14-12-27)16-5-7-17(24)8-6-16/h1-8,20H,9-15H2,(H,25,29)(H,26,28)
InChIKeyDXEYQBZYCFYQOP-UHFFFAOYSA-N
MW433.91 g/mol
LogP2.79
Rot. Bonds8

About 2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide

2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide (PubChem CID 18136223) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is 2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
PubChem CID18136223
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC Name2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H25ClFN3O3/c23-19-4-2-1-3-18(19)22(29)25-10-9-21(28)26-15-20(27-11-13-30-14-12-27)16-5-7-17(24)8-6-16/h1-8,20H,9-15H2,(H,25,29)(H,26,28)
InChIKeyDXEYQBZYCFYQOP-UHFFFAOYSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide (CID 18136223) is 2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is DXEYQBZYCFYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O3/c23-19-4-2-1-3-18(19)22(29)25-10-9-21(28)26-15-20(27-11-13-30-14-12-27)16-5-7-17(24)8-6-16/h1-8,20H,9-15H2,(H,25,29)(H,26,28).
What are the key properties of 2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 433.91 g/mol, XLogP of 2.79, 8 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-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18136223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).