2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

C18H19BrN2O3 — CID 135588917

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-12(2)14-5-8-17(16(19)9-14)24-11-18(23)21-20-10-13-3-6-15(22)7-4-13/h3-10,12,22H,11H2,1-2H3,(H,21,23)/b20-10+
InChIKeyWXXDQIJDPITPSH-KEBDBYFISA-N
MW391.27 g/mol
LogP3.81
Rot. Bonds6

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135588917) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135588917
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-12(2)14-5-8-17(16(19)9-14)24-11-18(23)21-20-10-13-3-6-15(22)7-4-13/h3-10,12,22H,11H2,1-2H3,(H,21,23)/b20-10+
InChIKeyWXXDQIJDPITPSH-KEBDBYFISA-N
XLogP3.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-tert-butylphenoxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 4922177
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3322844
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135479274
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 3323010
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700
2-(2-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135610844
2-(2-bromo-4-propan-2-ylphenoxy)-N-(furan-2-ylmethylideneamino)acetamide
CID 1416781
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19165696
2-(2-bromo-4-tert-butylphenoxy)-N-[[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 4922524
N-[(E)-(3-bromo-4,5-dihydroxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 135688423
2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 1034891

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 135588917) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is WXXDQIJDPITPSH-KEBDBYFISA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12(2)14-5-8-17(16(19)9-14)24-11-18(23)21-20-10-13-3-6-15(22)7-4-13/h3-10,12,22H,11H2,1-2H3,(H,21,23)/b20-10+.
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135588917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).