3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide

C14H10BrIN2O — CID 3586825

IUPAC3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1I)c1cccc(Br)c1
InChIInChI=1S/C14H10BrIN2O/c15-12-6-3-5-10(8-12)14(19)18-17-9-11-4-1-2-7-13(11)16/h1-9H,(H,18,19)
InChIKeySUXQRAKOYBLRMR-UHFFFAOYSA-N
MW429.06 g/mol
LogP3.82
Rot. Bonds3

About 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide

3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide (PubChem CID 3586825) has the molecular formula C14H10BrIN2O and a molecular weight of 429.06 g/mol. Its IUPAC name is 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
PubChem CID3586825
Molecular FormulaC14H10BrIN2O
Molecular Weight429.06 g/mol
Exact Mass427.90
IUPAC Name3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1I)c1cccc(Br)c1
InChIInChI=1S/C14H10BrIN2O/c15-12-6-3-5-10(8-12)14(19)18-17-9-11-4-1-2-7-13(11)16/h1-9H,(H,18,19)
InChIKeySUXQRAKOYBLRMR-UHFFFAOYSA-N
XLogP3.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.06
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
4-hydroxy-N-[(E)-(2-iodophenyl)methylideneamino]benzamide
CID 6906211
3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
CID 71951581
N-[(E)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135437640
2-[2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 41168478
N-[(Z)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135680192
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 2828054
3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135403168
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 71951596
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide (CID 3586825) is 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccccc1I)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide?
The InChIKey is SUXQRAKOYBLRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIN2O/c15-12-6-3-5-10(8-12)14(19)18-17-9-11-4-1-2-7-13(11)16/h1-9H,(H,18,19).
What are the key properties of 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide?
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide has a molecular weight of 429.06 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 3586825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).