N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide

C16H14Br2N2O3 — CID 135609935

IUPACN-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cc(Br)c(O)cc1O
InChIInChI=1S/C16H14Br2N2O3/c1-9(12-7-13(18)15(22)8-14(12)21)19-20-16(23)6-10-2-4-11(17)5-3-10/h2-5,7-8,21-22H,6H2,1H3,(H,20,23)/b19-9+
InChIKeyCZOOYOZNSDMPJQ-DJKKODMXSA-N
MW442.11 g/mol
LogP3.71
Rot. Bonds4

About N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide

N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide (PubChem CID 135609935) has the molecular formula C16H14Br2N2O3 and a molecular weight of 442.11 g/mol. Its IUPAC name is N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide
PubChem CID135609935
Molecular FormulaC16H14Br2N2O3
Molecular Weight442.11 g/mol
Exact Mass439.94
IUPAC NameN-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cc(Br)c(O)cc1O
InChIInChI=1S/C16H14Br2N2O3/c1-9(12-7-13(18)15(22)8-14(12)21)19-20-16(23)6-10-2-4-11(17)5-3-10/h2-5,7-8,21-22H,6H2,1H3,(H,20,23)/b19-9+
InChIKeyCZOOYOZNSDMPJQ-DJKKODMXSA-N
XLogP3.71
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
CID 19061478
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 136727508
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]acetamide
CID 136727512
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
CID 27524668
2-(3,4-dimethoxyphenyl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 136715309
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727514
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428850

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide (CID 135609935) is N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide is C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cc(Br)c(O)cc1O.
What is the InChIKey of N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide?
The InChIKey is CZOOYOZNSDMPJQ-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14Br2N2O3/c1-9(12-7-13(18)15(22)8-14(12)21)19-20-16(23)6-10-2-4-11(17)5-3-10/h2-5,7-8,21-22H,6H2,1H3,(H,20,23)/b19-9+.
What are the key properties of N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide?
N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide has a molecular weight of 442.11 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 135609935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).