2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide

C23H28ClN3O3 — CID 55723135

IUPAC2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESCC(CN1CCOCC1)NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H28ClN3O3/c1-17(16-27-11-13-30-14-12-27)25-22(28)15-21(18-7-3-2-4-8-18)26-23(29)19-9-5-6-10-20(19)24/h2-10,17,21H,11-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyUJBINBYUTZBYAU-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.04
Rot. Bonds8

About 2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55723135) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID55723135
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESCC(CN1CCOCC1)NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H28ClN3O3/c1-17(16-27-11-13-30-14-12-27)25-22(28)15-21(18-7-3-2-4-8-18)26-23(29)19-9-5-6-10-20(19)24/h2-10,17,21H,11-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyUJBINBYUTZBYAU-UHFFFAOYSA-N
XLogP3.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-chloro-N-[3-[2-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
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2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
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2-chloro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide (CID 55723135) is 2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide is CC(CN1CCOCC1)NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is UJBINBYUTZBYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-17(16-27-11-13-30-14-12-27)25-22(28)15-21(18-7-3-2-4-8-18)26-23(29)19-9-5-6-10-20(19)24/h2-10,17,21H,11-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 429.95 g/mol, XLogP of 3.04, 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-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55723135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).