3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide

C14H17BrN2O4 — CID 81198209

IUPAC3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCOC(CO)C1)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O4/c15-11-3-1-2-10(6-11)14(20)16-7-13(19)17-4-5-21-12(8-17)9-18/h1-3,6,12,18H,4-5,7-9H2,(H,16,20)
InChIKeyGFODDQAGSATYMN-UHFFFAOYSA-N
MW357.20 g/mol
LogP0.40
Rot. Bonds4

About 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide

3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide (PubChem CID 81198209) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
PubChem CID81198209
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCOC(CO)C1)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O4/c15-11-3-1-2-10(6-11)14(20)16-7-13(19)17-4-5-21-12(8-17)9-18/h1-3,6,12,18H,4-5,7-9H2,(H,16,20)
InChIKeyGFODDQAGSATYMN-UHFFFAOYSA-N
XLogP0.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 81196262
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
CID 81209103
3-bromo-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 106671871
3-bromo-N-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 115966188
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 81208598
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836
3-bromo-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 120996845
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119645286
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
3-bromo-N-(oxiran-2-ylmethyl)benzamide
CID 102548436
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide (CID 81198209) is 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCOC(CO)C1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is GFODDQAGSATYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-11-3-1-2-10(6-11)14(20)16-7-13(19)17-4-5-21-12(8-17)9-18/h1-3,6,12,18H,4-5,7-9H2,(H,16,20).
What are the key properties of 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide?
3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 357.20 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 81198209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).