3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide

C16H14BrN3O3 — CID 135842502

IUPAC3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)c1
InChIInChI=1S/C16H14BrN3O3/c1-10(21)19-13-4-2-3-12(8-13)16(23)20-18-9-11-5-6-15(22)14(17)7-11/h2-9,22H,1H3,(H,19,21)(H,20,23)/b18-9+
InChIKeyNCUOVCNJCPRESN-GIJQJNRQSA-N
MW376.21 g/mol
LogP2.88
Rot. Bonds4

About 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide

3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135842502) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135842502
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)c1
InChIInChI=1S/C16H14BrN3O3/c1-10(21)19-13-4-2-3-12(8-13)16(23)20-18-9-11-5-6-15(22)14(17)7-11/h2-9,22H,1H3,(H,19,21)(H,20,23)/b18-9+
InChIKeyNCUOVCNJCPRESN-GIJQJNRQSA-N
XLogP2.88
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.88
H-Bond Donors ≤ 53
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

3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 3877269
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
CID 137020316
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
3-acetamido-N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 4309293
3-acetamido-N-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5180952
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
CID 4675138
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
2-bromo-N-[4-[[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 135419971
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 136781887
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 136794081

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide (CID 135842502) is 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide is CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)c1.
What is the InChIKey of 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is NCUOVCNJCPRESN-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-10(21)19-13-4-2-3-12(8-13)16(23)20-18-9-11-5-6-15(22)14(17)7-11/h2-9,22H,1H3,(H,19,21)(H,20,23)/b18-9+.
What are the key properties of 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide?
3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 376.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135842502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).