3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide

C23H20ClN3O3 — CID 3974283

IUPAC3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OCc2cccc(Cl)c2)c1
InChIInChI=1S/C23H20ClN3O3/c1-16(28)26-21-10-5-8-18(13-21)23(29)27-25-14-19-7-2-3-11-22(19)30-15-17-6-4-9-20(24)12-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyWVYNJNWDYPIVDT-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.64
Rot. Bonds7

About 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide

3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 3974283) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID3974283
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OCc2cccc(Cl)c2)c1
InChIInChI=1S/C23H20ClN3O3/c1-16(28)26-21-10-5-8-18(13-21)23(29)27-25-14-19-7-2-3-11-22(19)30-15-17-6-4-9-20(24)12-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyWVYNJNWDYPIVDT-UHFFFAOYSA-N
XLogP4.64
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3668306
N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 4684451
3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6148632
N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126394512
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110339527
2,4-dichloro-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110339606
[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 3913512
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126058826

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 3974283) is 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is CC(=O)Nc1cccc(C(=O)NN=Cc2ccccc2OCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is WVYNJNWDYPIVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-16(28)26-21-10-5-8-18(13-21)23(29)27-25-14-19-7-2-3-11-22(19)30-15-17-6-4-9-20(24)12-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 421.88 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 3974283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).