2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide

C22H19BrN2O3 — CID 4167953

IUPAC2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccccc1
InChIInChI=1S/C22H19BrN2O3/c1-27-21-13-17(11-12-20(21)28-15-16-7-3-2-4-8-16)14-24-25-22(26)18-9-5-6-10-19(18)23/h2-14H,15H2,1H3,(H,25,26)
InChIKeyCUIKPHSBJCZYHG-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.80
Rot. Bonds7

About 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide

2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 4167953) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID4167953
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccccc1
InChIInChI=1S/C22H19BrN2O3/c1-27-21-13-17(11-12-20(21)28-15-16-7-3-2-4-8-16)14-24-25-22(26)18-9-5-6-10-19(18)23/h2-14H,15H2,1H3,(H,25,26)
InChIKeyCUIKPHSBJCZYHG-UHFFFAOYSA-N
XLogP4.80
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3834787
2-bromo-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146920
2-bromo-N-[1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4241637
methyl 2-[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 17245435
2,5-dihydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 17126913
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
2-bromo-N-[1-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3428880
2-bromo-N-[(E)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 39818748
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 4167953) is 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide is COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccccc1.
What is the InChIKey of 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is CUIKPHSBJCZYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-27-21-13-17(11-12-20(21)28-15-16-7-3-2-4-8-16)14-24-25-22(26)18-9-5-6-10-19(18)23/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 439.31 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4167953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).