N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide

C19H20ClN3O3 — CID 3894268

IUPACN-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H20ClN3O3/c1-13-10-15(20)6-7-17(13)22-18(24)8-9-19(25)23-21-12-14-4-3-5-16(11-14)26-2/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYYBKYNLJXVGGBJ-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.53
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide

N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 3894268) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
PubChem CID3894268
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H20ClN3O3/c1-13-10-15(20)6-7-17(13)22-18(24)8-9-19(25)23-21-12-14-4-3-5-16(11-14)26-2/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYYBKYNLJXVGGBJ-UHFFFAOYSA-N
XLogP3.53
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.53
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

N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 136861867
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 5419197
N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4596964
N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
CID 3421421
N-(4-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3969942
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 5334959
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
CID 4022136

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide (CID 3894268) is N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide is COc1cccc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is YYBKYNLJXVGGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13-10-15(20)6-7-17(13)22-18(24)8-9-19(25)23-21-12-14-4-3-5-16(11-14)26-2/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide?
N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide has a molecular weight of 373.84 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3894268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).