4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide

C21H18N2O4 — CID 24818461

IUPAC4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C(=O)NN=Cc2cccc(Oc3ccccc3)c2)ccc1O
InChIInChI=1S/C21H18N2O4/c1-26-20-13-16(10-11-19(20)24)21(25)23-22-14-15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-14,24H,1H3,(H,23,25)
InChIKeyPLMGULBGEORUQB-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.96
Rot. Bonds6

About 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide

4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 24818461) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID24818461
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C(=O)NN=Cc2cccc(Oc3ccccc3)c2)ccc1O
InChIInChI=1S/C21H18N2O4/c1-26-20-13-16(10-11-19(20)24)21(25)23-22-14-15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-14,24H,1H3,(H,23,25)
InChIKeyPLMGULBGEORUQB-UHFFFAOYSA-N
XLogP3.96
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.96
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)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 135551685
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
3-methoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126324319
5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94836303
N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 54251158
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
3,4,5-trimethoxy-N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3274051

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide (CID 24818461) is 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide is COc1cc(C(=O)NN=Cc2cccc(Oc3ccccc3)c2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is PLMGULBGEORUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-20-13-16(10-11-19(20)24)21(25)23-22-14-15-6-5-9-18(12-15)27-17-7-3-2-4-8-17/h2-14,24H,1H3,(H,23,25).
What are the key properties of 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide?
4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 362.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 24818461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).