4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide

C16H21BrN2O3 — CID 18108356

IUPAC4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
SMILESCC1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C16H21BrN2O3/c1-11-9-19(10-12(2)22-11)15(20)7-8-18-16(21)13-3-5-14(17)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)
InChIKeyIAHGMNHSVVGEHI-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.20
Rot. Bonds4

About 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide

4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide (PubChem CID 18108356) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
PubChem CID18108356
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Name4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
SMILESCC1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C16H21BrN2O3/c1-11-9-19(10-12(2)22-11)15(20)7-8-18-16(21)13-3-5-14(17)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)
InChIKeyIAHGMNHSVVGEHI-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide (CID 18108356) is 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide is CC1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC(C)O1.
What is the InChIKey of 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide?
The InChIKey is IAHGMNHSVVGEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c1-11-9-19(10-12(2)22-11)15(20)7-8-18-16(21)13-3-5-14(17)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide?
4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide has a molecular weight of 369.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 18108356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).