N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide

C23H20ClN3O3 — CID 3569452

IUPACN-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Cl)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C23H20ClN3O3/c24-19-11-5-6-12-20(19)26-22(28)14-23(29)27-25-15-18-10-4-7-13-21(18)30-16-17-8-2-1-3-9-17/h1-13,15H,14,16H2,(H,26,28)(H,27,29)
InChIKeyHYNIHNTWLXNGCA-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.40
Rot. Bonds8

About N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide

N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide (PubChem CID 3569452) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
PubChem CID3569452
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC NameN-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Cl)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C23H20ClN3O3/c24-19-11-5-6-12-20(19)26-22(28)14-23(29)27-25-15-18-10-4-7-13-21(18)30-16-17-8-2-1-3-9-17/h1-13,15H,14,16H2,(H,26,28)(H,27,29)
InChIKeyHYNIHNTWLXNGCA-UHFFFAOYSA-N
XLogP4.40
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5029498
N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4241440
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 4561777
N-(2,3-dichlorophenyl)-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 5154234
2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6112463
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
CID 3543860
N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4663988
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3903944
N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 5025171
N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 5111842

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide (CID 3569452) is N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide is O=C(CC(=O)Nc1ccccc1Cl)NN=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide?
The InChIKey is HYNIHNTWLXNGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c24-19-11-5-6-12-20(19)26-22(28)14-23(29)27-25-15-18-10-4-7-13-21(18)30-16-17-8-2-1-3-9-17/h1-13,15H,14,16H2,(H,26,28)(H,27,29).
What are the key properties of N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide?
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide has a molecular weight of 421.88 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3569452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).