3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide

C27H19BrClN3O2 — CID 135810325

IUPAC3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide
SMILESO=C(Nc1ccc(/N=C/c2cc(/N=C/c3ccc(Cl)cc3)ccc2O)cc1)c1cccc(Br)c1
InChIInChI=1S/C27H19BrClN3O2/c28-21-3-1-2-19(14-21)27(34)32-24-10-8-23(9-11-24)31-17-20-15-25(12-13-26(20)33)30-16-18-4-6-22(29)7-5-18/h1-17,33H,(H,32,34)/b30-16+,31-17+
InChIKeyGPRASDVBLDOWCE-RVSCTIAXSA-N
MW532.83 g/mol
LogP7.56
Rot. Bonds6

About 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide

3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide (PubChem CID 135810325) has the molecular formula C27H19BrClN3O2 and a molecular weight of 532.83 g/mol. Its IUPAC name is 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide
PubChem CID135810325
Molecular FormulaC27H19BrClN3O2
Molecular Weight532.83 g/mol
Exact Mass531.03
IUPAC Name3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide
SMILESO=C(Nc1ccc(/N=C/c2cc(/N=C/c3ccc(Cl)cc3)ccc2O)cc1)c1cccc(Br)c1
InChIInChI=1S/C27H19BrClN3O2/c28-21-3-1-2-19(14-21)27(34)32-24-10-8-23(9-11-24)31-17-20-15-25(12-13-26(20)33)30-16-18-4-6-22(29)7-5-18/h1-17,33H,(H,32,34)/b30-16+,31-17+
InChIKeyGPRASDVBLDOWCE-RVSCTIAXSA-N
XLogP7.56
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.83
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide
CID 56695198
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
(E)-3-[4-[(3-bromobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411616
N-[4-[[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135560215
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
1-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-3-(4-bromophenyl)prop-2-en-1-one
CID 3562174
3-[[4-[(4-chlorophenyl)methylideneamino]phenyl]carbamoyl]-6,7-dimethylquinoxaline-2-carboxylic acid
CID 10874182
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide (CID 135810325) is 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide is O=C(Nc1ccc(/N=C/c2cc(/N=C/c3ccc(Cl)cc3)ccc2O)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide?
The InChIKey is GPRASDVBLDOWCE-RVSCTIAXSA-N. The full InChI is InChI=1S/C27H19BrClN3O2/c28-21-3-1-2-19(14-21)27(34)32-24-10-8-23(9-11-24)31-17-20-15-25(12-13-26(20)33)30-16-18-4-6-22(29)7-5-18/h1-17,33H,(H,32,34)/b30-16+,31-17+.
What are the key properties of 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide?
3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide has a molecular weight of 532.83 g/mol, XLogP of 7.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[[5-[(4-chlorophenyl)methylideneamino]-2-hydroxyphenyl]methylideneamino]phenyl]benzamide is sourced from PubChem (CID 135810325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).