3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide

C14H20BrN3O2 — CID 114398949

IUPAC3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
SMILESCCN1CCOC(CNC(=O)c2ccc(Br)c(N)c2)C1
InChIInChI=1S/C14H20BrN3O2/c1-2-18-5-6-20-11(9-18)8-17-14(19)10-3-4-12(15)13(16)7-10/h3-4,7,11H,2,5-6,8-9,16H2,1H3,(H,17,19)
InChIKeyLMLAUKXFZRICCK-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.48
Rot. Bonds4

About 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide

3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide (PubChem CID 114398949) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
PubChem CID114398949
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
SMILESCCN1CCOC(CNC(=O)c2ccc(Br)c(N)c2)C1
InChIInChI=1S/C14H20BrN3O2/c1-2-18-5-6-20-11(9-18)8-17-14(19)10-3-4-12(15)13(16)7-10/h3-4,7,11H,2,5-6,8-9,16H2,1H3,(H,17,19)
InChIKeyLMLAUKXFZRICCK-UHFFFAOYSA-N
XLogP1.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-ethylmorpholin-2-yl)methyl 3-amino-4-bromobenzoate
CID 79182900
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115629793
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methoxybenzamide
CID 114399024
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114398981
methyl 3-amino-4-[(4-ethylmorpholin-2-yl)methylamino]benzoate
CID 114401093
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
CID 79165325

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide (CID 114398949) is 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide is CCN1CCOC(CNC(=O)c2ccc(Br)c(N)c2)C1.
What is the InChIKey of 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide?
The InChIKey is LMLAUKXFZRICCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-2-18-5-6-20-11(9-18)8-17-14(19)10-3-4-12(15)13(16)7-10/h3-4,7,11H,2,5-6,8-9,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide?
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide has a molecular weight of 342.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 114398949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).