4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide

C16H22BrN3O3 — CID 26697005

IUPAC4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCN1CCOCC1
InChIInChI=1S/C16H22BrN3O3/c17-14-3-1-13(2-4-14)16(22)19-6-5-15(21)18-7-8-20-9-11-23-12-10-20/h1-4H,5-12H2,(H,18,21)(H,19,22)
InChIKeyDFQFSACUVDLBSQ-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.02
Rot. Bonds7

About 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide

4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide (PubChem CID 26697005) has the molecular formula C16H22BrN3O3 and a molecular weight of 384.27 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
PubChem CID26697005
Molecular FormulaC16H22BrN3O3
Molecular Weight384.27 g/mol
Exact Mass383.08
IUPAC Name4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCN1CCOCC1
InChIInChI=1S/C16H22BrN3O3/c17-14-3-1-13(2-4-14)16(22)19-6-5-15(21)18-7-8-20-9-11-23-12-10-20/h1-4H,5-12H2,(H,18,21)(H,19,22)
InChIKeyDFQFSACUVDLBSQ-UHFFFAOYSA-N
XLogP1.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
4-amino-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 119863887
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 31005479
4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
CID 166390762
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide (CID 26697005) is 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCCN1CCOCC1.
What is the InChIKey of 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide?
The InChIKey is DFQFSACUVDLBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3/c17-14-3-1-13(2-4-14)16(22)19-6-5-15(21)18-7-8-20-9-11-23-12-10-20/h1-4H,5-12H2,(H,18,21)(H,19,22).
What are the key properties of 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide has a molecular weight of 384.27 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 26697005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).