3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide

C20H15ClN2O2 — CID 94847748

IUPAC3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN2O2/c21-17-8-5-7-16(13-17)20(24)23-22-14-15-6-4-11-19(12-15)25-18-9-2-1-3-10-18/h1-14H,(H,23,24)/b22-14-
InChIKeyZLDIHXUTRVJOCX-HMAPJEAMSA-N
MW350.81 g/mol
LogP4.90
Rot. Bonds5

About 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide

3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 94847748) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID94847748
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN2O2/c21-17-8-5-7-16(13-17)20(24)23-22-14-15-6-4-11-19(12-15)25-18-9-2-1-3-10-18/h1-14H,(H,23,24)/b22-14-
InChIKeyZLDIHXUTRVJOCX-HMAPJEAMSA-N
XLogP4.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
[3-[[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4101805
[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 6104777
3,5-dinitro-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 171135969
4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 24818461
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 137167158
3,5-dichloro-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 11037566

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide (CID 94847748) is 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is ZLDIHXUTRVJOCX-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c21-17-8-5-7-16(13-17)20(24)23-22-14-15-6-4-11-19(12-15)25-18-9-2-1-3-10-18/h1-14H,(H,23,24)/b22-14-.
What are the key properties of 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 350.81 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 94847748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).