3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide

C14H9BrCl2N2O — CID 1103001

IUPAC3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c(Cl)cccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H9BrCl2N2O/c15-10-4-1-3-9(7-10)14(20)19-18-8-11-12(16)5-2-6-13(11)17/h1-8H,(H,19,20)
InChIKeyAOZYMPBVXPNSIW-UHFFFAOYSA-N
MW372.05 g/mol
LogP4.52
Rot. Bonds3

About 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide

3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide (PubChem CID 1103001) has the molecular formula C14H9BrCl2N2O and a molecular weight of 372.05 g/mol. Its IUPAC name is 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
PubChem CID1103001
Molecular FormulaC14H9BrCl2N2O
Molecular Weight372.05 g/mol
Exact Mass369.93
IUPAC Name3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c(Cl)cccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H9BrCl2N2O/c15-10-4-1-3-9(7-10)14(20)19-18-8-11-12(16)5-2-6-13(11)17/h1-8H,(H,19,20)
InChIKeyAOZYMPBVXPNSIW-UHFFFAOYSA-N
XLogP4.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.05
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6249030
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 3885983
3-bromo-N-[(E)-(10-methylanthracen-9-yl)methylideneamino]benzamide
CID 126005055
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
3-bromo-N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 135590040
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide (CID 1103001) is 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide is O=C(NN=Cc1c(Cl)cccc1Cl)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is AOZYMPBVXPNSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N2O/c15-10-4-1-3-9(7-10)14(20)19-18-8-11-12(16)5-2-6-13(11)17/h1-8H,(H,19,20).
What are the key properties of 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide?
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide has a molecular weight of 372.05 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 1103001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).