5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

C23H20Br2N2O3 — CID 4080043

IUPAC5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C23H20Br2N2O3/c1-2-29-21-10-8-18(24)12-17(21)14-26-27-23(28)20-13-19(25)9-11-22(20)30-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,27,28)
InChIKeyVFXYDNWAKKHXPE-UHFFFAOYSA-N
MW532.23 g/mol
LogP5.95
Rot. Bonds8

About 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 4080043) has the molecular formula C23H20Br2N2O3 and a molecular weight of 532.23 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID4080043
Molecular FormulaC23H20Br2N2O3
Molecular Weight532.23 g/mol
Exact Mass529.98
IUPAC Name5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C23H20Br2N2O3/c1-2-29-21-10-8-18(24)12-17(21)14-26-27-23(28)20-13-19(25)9-11-22(20)30-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,27,28)
InChIKeyVFXYDNWAKKHXPE-UHFFFAOYSA-N
XLogP5.95
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.23
LogP ≤ 55.95
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

N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
[4-bromo-2-[[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3395615
2-[4-bromo-2-[(E)-[(3-ethoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126324032
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5415702
N-[(E)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126274129
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456
N-[(E)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126330906
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 4101486
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 4260574
[4-bromo-2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6297254
N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6266636
5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 92848012

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (CID 4080043) is 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is CCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is VFXYDNWAKKHXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Br2N2O3/c1-2-29-21-10-8-18(24)12-17(21)14-26-27-23(28)20-13-19(25)9-11-22(20)30-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,27,28).
What are the key properties of 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 532.23 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 4080043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).