N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide

C19H20ClN3O3 — CID 4022136

IUPACN-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
SMILESCCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-2-26-15-7-5-6-14(12-15)13-21-23-19(25)11-10-18(24)22-17-9-4-3-8-16(17)20/h3-9,12-13H,2,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyXKRBWTHDLYVENN-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.61
Rot. Bonds8

About N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide

N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide (PubChem CID 4022136) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
PubChem CID4022136
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
SMILESCCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-2-26-15-7-5-6-14(12-15)13-21-23-19(25)11-10-18(24)22-17-9-4-3-8-16(17)20/h3-9,12-13H,2,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyXKRBWTHDLYVENN-UHFFFAOYSA-N
XLogP3.61
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.61
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'-[(3-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 4264592
N-(2-methylphenyl)-N'-[(3-propoxyphenyl)methylideneamino]butanediamide
CID 3421421
N-butyl-N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126172743
N-(2-chlorophenyl)-N'-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3575688
N-[(E)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126265913
N-(2-chlorophenyl)-N'-[(3-methoxy-4-methylphenyl)methylideneamino]butanediamide
CID 3707643
N-(2-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]butanediamide
CID 4587458
N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
CID 1285426
N-(2-chlorophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanediamide
CID 136670499
N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4633351
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 8932252
N-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide (CID 4022136) is N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide is CCOc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide?
The InChIKey is XKRBWTHDLYVENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-2-26-15-7-5-6-14(12-15)13-21-23-19(25)11-10-18(24)22-17-9-4-3-8-16(17)20/h3-9,12-13H,2,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide?
N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide has a molecular weight of 373.84 g/mol, XLogP of 3.61, 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'-[(3-ethoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 4022136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).