N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide

C22H19BrN2O3 — CID 6082472

IUPACN-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCCOc2ccc(Br)cc2)c1)c1ccccc1
InChIInChI=1S/C22H19BrN2O3/c23-19-9-11-20(12-10-19)27-13-14-28-21-8-4-5-17(15-21)16-24-25-22(26)18-6-2-1-3-7-18/h1-12,15-16H,13-14H2,(H,25,26)/b24-16-
InChIKeyRAWNHOAYFPUQDR-JLPGSUDCSA-N
MW439.31 g/mol
LogP4.67
Rot. Bonds8

About N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide

N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide (PubChem CID 6082472) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
PubChem CID6082472
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC NameN-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCCOc2ccc(Br)cc2)c1)c1ccccc1
InChIInChI=1S/C22H19BrN2O3/c23-19-9-11-20(12-10-19)27-13-14-28-21-8-4-5-17(15-21)16-24-25-22(26)18-6-2-1-3-7-18/h1-12,15-16H,13-14H2,(H,25,26)/b24-16-
InChIKeyRAWNHOAYFPUQDR-JLPGSUDCSA-N
XLogP4.67
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[[3-[3-(4-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 4039313
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3685682
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
4-[(4-bromophenyl)methoxy]-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124543069
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42232312
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide
CID 143915678

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide (CID 6082472) is N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1cccc(OCCOc2ccc(Br)cc2)c1)c1ccccc1.
What is the InChIKey of N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide?
The InChIKey is RAWNHOAYFPUQDR-JLPGSUDCSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c23-19-9-11-20(12-10-19)27-13-14-28-21-8-4-5-17(15-21)16-24-25-22(26)18-6-2-1-3-7-18/h1-12,15-16H,13-14H2,(H,25,26)/b24-16-.
What are the key properties of N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide?
N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide has a molecular weight of 439.31 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6082472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).