2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide

C13H15BrN2O3 — CID 46736679

IUPAC2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(CBr)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H15BrN2O3/c14-9-12(17)15-11-3-1-2-10(8-11)13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,17)
InChIKeyYSOFWXRCKZNHLH-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.49
Rot. Bonds3

About 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide

2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 46736679) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID46736679
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(CBr)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H15BrN2O3/c14-9-12(17)15-11-3-1-2-10(8-11)13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,17)
InChIKeyYSOFWXRCKZNHLH-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 42628397
N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55748980
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
CID 17205425

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (CID 46736679) is 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is O=C(CBr)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is YSOFWXRCKZNHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-9-12(17)15-11-3-1-2-10(8-11)13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,17).
What are the key properties of 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 327.18 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 46736679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).