2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide

C18H20ClN3O2 — CID 155540767

IUPAC2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H20ClN3O2/c1-3-15(21-16-9-8-14(19)10-12(16)2)18(24)22-20-11-13-6-4-5-7-17(13)23/h4-11,15,21,23H,3H2,1-2H3,(H,22,24)/b20-11+
InChIKeyKSUWXFVGQIEGAT-RGVLZGJSSA-N
MW345.83 g/mol
LogP3.69
Rot. Bonds6

About 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide

2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 155540767) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
PubChem CID155540767
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H20ClN3O2/c1-3-15(21-16-9-8-14(19)10-12(16)2)18(24)22-20-11-13-6-4-5-7-17(13)23/h4-11,15,21,23H,3H2,1-2H3,(H,22,24)/b20-11+
InChIKeyKSUWXFVGQIEGAT-RGVLZGJSSA-N
XLogP3.69
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N-(4-chloro-2-methylphenyl)-4-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-4-oxobutanamide
CID 135403929
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135439753
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
1-(4-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylidene]-5-oxopyrrolidine-3-carbohydrazide
CID 135492281
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122
N''-(5-chloro-2-hydroxybenzylidene)-4-(m-toluidino)-4-oxobutanehydrazide
CID 135492196
2-(4-chloro-2-methylanilino)-N'-[(2-hydroxy-1-naphthyl)methylene]butanohydrazide
CID 135533790
4-Phenyl-1-piperazineacetic acid (((4-chlorophenyl)azo)(2-hydroxyphenyl)methylene)hydrazide
CID 135599784
N-(4-Ethylphenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135531554

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (CID 155540767) is 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is CCC(Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is KSUWXFVGQIEGAT-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-15(21-16-9-8-14(19)10-12(16)2)18(24)22-20-11-13-6-4-5-7-17(13)23/h4-11,15,21,23H,3H2,1-2H3,(H,22,24)/b20-11+.
What are the key properties of 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 345.83 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 155540767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).