2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

C22H19BrN2O3 — CID 6153999

IUPAC2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C22H19BrN2O3/c23-19-12-10-17(11-13-19)21(26)22(27)25-24-14-18-8-4-5-9-20(18)28-15-16-6-2-1-3-7-16/h1-14,21,26H,15H2,(H,25,27)/b24-14-
InChIKeyIKMAMJNMWOXOQX-OYKKKHCWSA-N
MW439.31 g/mol
LogP4.21
Rot. Bonds7

About 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 6153999) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID6153999
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C22H19BrN2O3/c23-19-12-10-17(11-13-19)21(26)22(27)25-24-14-18-8-4-5-9-20(18)28-15-16-6-2-1-3-7-16/h1-14,21,26H,15H2,(H,25,27)/b24-14-
InChIKeyIKMAMJNMWOXOQX-OYKKKHCWSA-N
XLogP4.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
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

2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide
CID 5168046
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 21379993
(2S)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126147597
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
(2S)-N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyanilino)propanamide
CID 6874182
2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3978126
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 6153999) is 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(N/N=C\c1ccccc1OCc1ccccc1)C(O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is IKMAMJNMWOXOQX-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c23-19-12-10-17(11-13-19)21(26)22(27)25-24-14-18-8-4-5-9-20(18)28-15-16-6-2-1-3-7-16/h1-14,21,26H,15H2,(H,25,27)/b24-14-.
What are the key properties of 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 439.31 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6153999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).