3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide

C18H17Br2N3O3 — CID 4579243

IUPAC3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H17Br2N3O3/c1-3-26-17-13(7-14(19)9-16(17)20)10-21-23-18(25)12-5-4-6-15(8-12)22-11(2)24/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBWKUHTKPJISPFG-UHFFFAOYSA-N
MW483.16 g/mol
LogP4.33
Rot. Bonds6

About 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide

3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide (PubChem CID 4579243) has the molecular formula C18H17Br2N3O3 and a molecular weight of 483.16 g/mol. Its IUPAC name is 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
PubChem CID4579243
Molecular FormulaC18H17Br2N3O3
Molecular Weight483.16 g/mol
Exact Mass480.96
IUPAC Name3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H17Br2N3O3/c1-3-26-17-13(7-14(19)9-16(17)20)10-21-23-18(25)12-5-4-6-15(8-12)22-11(2)24/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBWKUHTKPJISPFG-UHFFFAOYSA-N
XLogP4.33
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.16
LogP ≤ 54.33
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

4-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
CID 3493462
N-[(E)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126324715
[2,4-dibromo-6-[[[3-[(3,4-diethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126230590
[2-[[(3-benzamidobenzoyl)hydrazinylidene]methyl]-4,6-dibromophenyl] 4-methylbenzoate
CID 126229766
3-acetamido-N-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5180952
[2,4-dibromo-6-[[[3-[(4-bromobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126225196
[2,4-dibromo-6-[[[3-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 126231139
[2,4-dibromo-6-[[[3-[(3-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126232751
N-[(E)-[3,5-dibromo-2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126277474
[2,4-dibromo-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
CID 4914224
N-[(E)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126316476
3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 3877269

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide (CID 4579243) is 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide is CCOc1c(Br)cc(Br)cc1C=NNC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide?
The InChIKey is BWKUHTKPJISPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2N3O3/c1-3-26-17-13(7-14(19)9-16(17)20)10-21-23-18(25)12-5-4-6-15(8-12)22-11(2)24/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide?
3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide has a molecular weight of 483.16 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4579243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).