N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide

C20H14F2N2O3 — CID 135923638

IUPACN-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
SMILESO=C(N/N=C/c1cc(F)c(O)c(F)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H14F2N2O3/c21-17-9-13(10-18(22)19(17)25)12-23-24-20(26)14-5-4-8-16(11-14)27-15-6-2-1-3-7-15/h1-12,25H,(H,24,26)/b23-12+
InChIKeyYYHVAQFZCORRHC-FSJBWODESA-N
MW368.34 g/mol
LogP4.23
Rot. Bonds5

About N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide

N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide (PubChem CID 135923638) has the molecular formula C20H14F2N2O3 and a molecular weight of 368.34 g/mol. Its IUPAC name is N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
PubChem CID135923638
Molecular FormulaC20H14F2N2O3
Molecular Weight368.34 g/mol
Exact Mass368.10
IUPAC NameN-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
SMILESO=C(N/N=C/c1cc(F)c(O)c(F)c1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H14F2N2O3/c21-17-9-13(10-18(22)19(17)25)12-23-24-20(26)14-5-4-8-16(11-14)27-15-6-2-1-3-7-15/h1-12,25H,(H,24,26)/b23-12+
InChIKeyYYHVAQFZCORRHC-FSJBWODESA-N
XLogP4.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 137167158
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 136593098
N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide
CID 71467467
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 24818461
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-[3-(methanesulfonamido)phenoxy]benzamide
CID 135923632
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(4-methoxy-3-methylphenoxy)benzamide
CID 136621265

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide?
The IUPAC name of N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide (CID 135923638) is N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide.
What is the SMILES notation for N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide?
The canonical SMILES for N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide is O=C(N/N=C/c1cc(F)c(O)c(F)c1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide?
The InChIKey is YYHVAQFZCORRHC-FSJBWODESA-N. The full InChI is InChI=1S/C20H14F2N2O3/c21-17-9-13(10-18(22)19(17)25)12-23-24-20(26)14-5-4-8-16(11-14)27-15-6-2-1-3-7-15/h1-12,25H,(H,24,26)/b23-12+.
What are the key properties of N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide?
N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide has a molecular weight of 368.34 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide is sourced from PubChem (CID 135923638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).