N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide

C20H14Cl2N2O3 — CID 137167158

IUPACN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H14Cl2N2O3/c21-15-9-14(19(25)18(22)11-15)12-23-24-20(26)13-5-4-8-17(10-13)27-16-6-2-1-3-7-16/h1-12,25H,(H,24,26)
InChIKeyVQJYPUWNEIGBGM-UHFFFAOYSA-N
MW401.25 g/mol
LogP5.26
Rot. Bonds5

About N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide

N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide (PubChem CID 137167158) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
PubChem CID137167158
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H14Cl2N2O3/c21-15-9-14(19(25)18(22)11-15)12-23-24-20(26)13-5-4-8-17(10-13)27-16-6-2-1-3-7-16/h1-12,25H,(H,24,26)
InChIKeyVQJYPUWNEIGBGM-UHFFFAOYSA-N
XLogP5.26
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 135923638
N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide
CID 71467467
N-[3-[[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 136774361
3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361735
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide
CID 136680564
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
3-bromo-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 5196693

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide?
The IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide (CID 137167158) is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide.
What is the SMILES notation for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide?
The canonical SMILES for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide is O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide?
The InChIKey is VQJYPUWNEIGBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c21-15-9-14(19(25)18(22)11-15)12-23-24-20(26)13-5-4-8-17(10-13)27-16-6-2-1-3-7-16/h1-12,25H,(H,24,26).
What are the key properties of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide?
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide has a molecular weight of 401.25 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide is sourced from PubChem (CID 137167158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).