N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide

C22H19BrN2O2 — CID 4128401

IUPACN-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cccc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C22H19BrN2O2/c23-20-10-4-9-19(12-20)16-27-21-11-5-8-18(13-21)15-24-25-22(26)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,25,26)
InChIKeyRBDPGEXKKLEIOC-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.72
Rot. Bonds7

About N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide

N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide (PubChem CID 4128401) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
PubChem CID4128401
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC NameN-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cccc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C22H19BrN2O2/c23-20-10-4-9-19(12-20)16-27-21-11-5-8-18(13-21)15-24-25-22(26)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,25,26)
InChIKeyRBDPGEXKKLEIOC-UHFFFAOYSA-N
XLogP4.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3685682
N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6172690
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 4216384
2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 98050626
methyl 4-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3955711
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126370937
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143842

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide (CID 4128401) is N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)NN=Cc1cccc(OCc2cccc(Br)c2)c1.
What is the InChIKey of N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is RBDPGEXKKLEIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c23-20-10-4-9-19(12-20)16-27-21-11-5-8-18(13-21)15-24-25-22(26)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,25,26).
What are the key properties of N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 423.31 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 4128401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).