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

C19H20ClN3O3 — CID 4537562

IUPACN-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C19H20ClN3O3/c1-13-16(20)4-3-5-17(13)22-18(24)10-11-19(25)23-21-12-14-6-8-15(26-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPKJUKYOTRMLUSA-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.53
Rot. Bonds7

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

N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 4537562) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
PubChem CID4537562
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccc(C=NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C19H20ClN3O3/c1-13-16(20)4-3-5-17(13)22-18(24)10-11-19(25)23-21-12-14-6-8-15(26-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPKJUKYOTRMLUSA-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,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N-(2-bromophenyl)-N'-[(Z)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6018291
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3286150
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide
CID 126267690
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126160920
N-(2-chlorophenyl)-N'-[(3-methoxy-4-methylphenyl)methylideneamino]butanediamide
CID 3707643
N-(3-chloro-2-methylphenyl)-4-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 1194234
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135572064

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide (CID 4537562) is N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide is COc1ccc(C=NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is PKJUKYOTRMLUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13-16(20)4-3-5-17(13)22-18(24)10-11-19(25)23-21-12-14-6-8-15(26-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide?
N-(3-chloro-2-methylphenyl)-N'-[(4-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-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 4537562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).