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

C17H15Br2N3O3 — CID 3873499

IUPAC4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Br)cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br
InChIInChI=1S/C17H15Br2N3O3/c1-10(23)21-13-5-3-12(4-6-13)17(24)22-20-9-11-7-14(18)16(25-2)15(19)8-11/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyPTWCFFVUSXNMDF-UHFFFAOYSA-N
MW469.13 g/mol
LogP3.94
Rot. Bonds5

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

4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 3873499) has the molecular formula C17H15Br2N3O3 and a molecular weight of 469.13 g/mol. Its IUPAC name is 4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID3873499
Molecular FormulaC17H15Br2N3O3
Molecular Weight469.13 g/mol
Exact Mass466.95
IUPAC Name4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Br)cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br
InChIInChI=1S/C17H15Br2N3O3/c1-10(23)21-13-5-3-12(4-6-13)17(24)22-20-9-11-7-14(18)16(25-2)15(19)8-11/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyPTWCFFVUSXNMDF-UHFFFAOYSA-N
XLogP3.94
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.13
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 5430582
4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110514983
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292
4-acetamido-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3909955
3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110512236
4-[(2-acetamidoacetyl)amino]-N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137007116
4-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
CID 3493462
N-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016730
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
3-acetamido-N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 4309293
4-(2-methylpropanoylamino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6245269
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide (CID 3873499) is 4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide is COc1c(Br)cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br.
What is the InChIKey of 4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is PTWCFFVUSXNMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2N3O3/c1-10(23)21-13-5-3-12(4-6-13)17(24)22-20-9-11-7-14(18)16(25-2)15(19)8-11/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 469.13 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3873499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).