N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide

C16H12BrN3O3 — CID 56966223

IUPACN-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2o1
InChIInChI=1S/C16H12BrN3O3/c1-9(16-18-12-4-2-3-5-14(12)23-16)19-20-15(22)11-8-10(17)6-7-13(11)21/h2-8,21H,1H3,(H,20,22)/b19-9+
InChIKeyGMMRXFBRBDXXBS-DJKKODMXSA-N
MW374.19 g/mol
LogP3.45
Rot. Bonds3

About N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide

N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide (PubChem CID 56966223) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide
PubChem CID56966223
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC NameN-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2o1
InChIInChI=1S/C16H12BrN3O3/c1-9(16-18-12-4-2-3-5-14(12)23-16)19-20-15(22)11-8-10(17)6-7-13(11)21/h2-8,21H,1H3,(H,20,22)/b19-9+
InChIKeyGMMRXFBRBDXXBS-DJKKODMXSA-N
XLogP3.45
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-chloro-2-hydroxybenzamide
CID 9297796
N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 135734608
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 137037552
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325
1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135557700
5-bromo-N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-hydroxybenzamide
CID 3984145
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 135647794
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide (CID 56966223) is N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide is C/C(=N\NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2o1.
What is the InChIKey of N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide?
The InChIKey is GMMRXFBRBDXXBS-DJKKODMXSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-9(16-18-12-4-2-3-5-14(12)23-16)19-20-15(22)11-8-10(17)6-7-13(11)21/h2-8,21H,1H3,(H,20,22)/b19-9+.
What are the key properties of N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide?
N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide has a molecular weight of 374.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 56966223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).