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

C21H16Br2N2O2 — CID 3834787

IUPAC2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C21H16Br2N2O2/c22-18-9-5-4-8-17(18)21(26)25-24-13-16-10-11-20(19(23)12-16)27-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,26)
InChIKeyWVZTUZILEYDZGF-UHFFFAOYSA-N
MW488.18 g/mol
LogP5.55
Rot. Bonds6

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

2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 3834787) has the molecular formula C21H16Br2N2O2 and a molecular weight of 488.18 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID3834787
Molecular FormulaC21H16Br2N2O2
Molecular Weight488.18 g/mol
Exact Mass485.96
IUPAC Name2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C21H16Br2N2O2/c22-18-9-5-4-8-17(18)21(26)25-24-13-16-10-11-20(19(23)12-16)27-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,26)
InChIKeyWVZTUZILEYDZGF-UHFFFAOYSA-N
XLogP5.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.18
LogP ≤ 55.55
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-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4644510
N-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246135
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
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
N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126372815
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
2-bromo-N-[(E)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 39818748
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 3834787) is 2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is WVZTUZILEYDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br2N2O2/c22-18-9-5-4-8-17(18)21(26)25-24-13-16-10-11-20(19(23)12-16)27-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,26).
What are the key properties of 2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide?
2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 488.18 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3834787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).