4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide

C21H17BrN2O3 — CID 136845072

IUPAC4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)cc1)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O3/c22-18-7-1-16(2-8-18)14-27-20-11-5-17(6-12-20)21(26)24-23-13-15-3-9-19(25)10-4-15/h1-13,25H,14H2,(H,24,26)/b23-13-
InChIKeyYSQFCQOMOOSYOO-QRVIBDJDSA-N
MW425.28 g/mol
LogP4.50
Rot. Bonds6

About 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide

4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 136845072) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID136845072
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC Name4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)cc1)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O3/c22-18-7-1-16(2-8-18)14-27-20-11-5-17(6-12-20)21(26)24-23-13-15-3-9-19(25)10-4-15/h1-13,25H,14H2,(H,24,26)/b23-13-
InChIKeyYSQFCQOMOOSYOO-QRVIBDJDSA-N
XLogP4.50
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide
CID 98677523
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 6079252
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 90643398
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide (CID 136845072) is 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(O)cc1)c1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is YSQFCQOMOOSYOO-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c22-18-7-1-16(2-8-18)14-27-20-11-5-17(6-12-20)21(26)24-23-13-15-3-9-19(25)10-4-15/h1-13,25H,14H2,(H,24,26)/b23-13-.
What are the key properties of 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide?
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 425.28 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136845072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).