N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide

C22H19BrN2O4 — CID 126396352

IUPACN-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)c(O)c1
InChIInChI=1S/C22H19BrN2O4/c1-28-18-10-11-19(20(26)12-18)22(27)25-24-13-16-4-2-3-5-21(16)29-14-15-6-8-17(23)9-7-15/h2-13,26H,14H2,1H3,(H,25,27)/b24-13-
InChIKeyLNPPCVORNNHBLN-CFRMEGHHSA-N
MW455.31 g/mol
LogP4.51
Rot. Bonds7

About N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide

N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide (PubChem CID 126396352) has the molecular formula C22H19BrN2O4 and a molecular weight of 455.31 g/mol. Its IUPAC name is N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
PubChem CID126396352
Molecular FormulaC22H19BrN2O4
Molecular Weight455.31 g/mol
Exact Mass454.05
IUPAC NameN-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)c(O)c1
InChIInChI=1S/C22H19BrN2O4/c1-28-18-10-11-19(20(26)12-18)22(27)25-24-13-16-4-2-3-5-21(16)29-14-15-6-8-17(23)9-7-15/h2-13,26H,14H2,1H3,(H,25,27)/b24-13-
InChIKeyLNPPCVORNNHBLN-CFRMEGHHSA-N
XLogP4.51
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126394512
2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395065
(2S)-N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyanilino)propanamide
CID 6874182
2,4-dimethoxy-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6071759
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471
N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 4684451
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395056
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6289868

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide (CID 126396352) is N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)c(O)c1.
What is the InChIKey of N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
The InChIKey is LNPPCVORNNHBLN-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H19BrN2O4/c1-28-18-10-11-19(20(26)12-18)22(27)25-24-13-16-4-2-3-5-21(16)29-14-15-6-8-17(23)9-7-15/h2-13,26H,14H2,1H3,(H,25,27)/b24-13-.
What are the key properties of N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide has a molecular weight of 455.31 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 126396352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).