3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide

C16H13Br2N3O3 — CID 3877269

IUPAC3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C16H13Br2N3O3/c1-9(22)20-12-4-2-3-11(7-12)16(24)21-19-8-10-5-13(17)15(23)14(18)6-10/h2-8,23H,1H3,(H,20,22)(H,21,24)
InChIKeyRBEGQUSCEFWZHC-UHFFFAOYSA-N
MW455.11 g/mol
LogP3.64
Rot. Bonds4

About 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide

3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 3877269) has the molecular formula C16H13Br2N3O3 and a molecular weight of 455.11 g/mol. Its IUPAC name is 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID3877269
Molecular FormulaC16H13Br2N3O3
Molecular Weight455.11 g/mol
Exact Mass452.93
IUPAC Name3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C16H13Br2N3O3/c1-9(22)20-12-4-2-3-11(7-12)16(24)21-19-8-10-5-13(17)15(23)14(18)6-10/h2-8,23H,1H3,(H,20,22)(H,21,24)
InChIKeyRBEGQUSCEFWZHC-UHFFFAOYSA-N
XLogP3.64
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.11
LogP ≤ 53.64
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-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 4309293
3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 135842502
3-acetamido-N-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5180952
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
CID 4675138
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 136758849
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-[3-(methanesulfonamido)phenoxy]benzamide
CID 135923632
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
N-[3-[(E)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 78787133
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 3873499

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide (CID 3877269) is 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide is CC(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c1.
What is the InChIKey of 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is RBEGQUSCEFWZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3O3/c1-9(22)20-12-4-2-3-11(7-12)16(24)21-19-8-10-5-13(17)15(23)14(18)6-10/h2-8,23H,1H3,(H,20,22)(H,21,24).
What are the key properties of 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide?
3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 455.11 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3877269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).