N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide

C13H16BrN3O2 — CID 5369240

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O2/c14-12-3-1-11(2-4-12)9-15-16-13(18)10-17-5-7-19-8-6-17/h1-4,9H,5-8,10H2,(H,16,18)/b15-9-
InChIKeyPPLKBYIQBFKCEO-DHDCSXOGSA-N
MW326.19 g/mol
LogP1.23
Rot. Bonds4

About N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 5369240) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID5369240
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O2/c14-12-3-1-11(2-4-12)9-15-16-13(18)10-17-5-7-19-8-6-17/h1-4,9H,5-8,10H2,(H,16,18)/b15-9-
InChIKeyPPLKBYIQBFKCEO-DHDCSXOGSA-N
XLogP1.23
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(4-bromophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 3458621
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064453
N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6162667
N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide
CID 3096595
[4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate;hydrochloride
CID 163329175
2-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426552
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126007524
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
CID 5346912
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 26368175

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 5369240) is N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N/N=C\c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is PPLKBYIQBFKCEO-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c14-12-3-1-11(2-4-12)9-15-16-13(18)10-17-5-7-19-8-6-17/h1-4,9H,5-8,10H2,(H,16,18)/b15-9-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 326.19 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 5369240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).