N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide

C18H15ClF3N3O3 — CID 135899822

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C\c1ccccc1O
InChIInChI=1S/C18H15ClF3N3O3/c19-13-6-5-12(18(20,21)22)9-14(13)24-16(27)7-8-17(28)25-23-10-11-3-1-2-4-15(11)26/h1-6,9-10,26H,7-8H2,(H,24,27)(H,25,28)/b23-10-
InChIKeyUQHITOQRQVTUGG-RMORIDSASA-N
MW413.78 g/mol
LogP3.93
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 135899822) has the molecular formula C18H15ClF3N3O3 and a molecular weight of 413.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID135899822
Molecular FormulaC18H15ClF3N3O3
Molecular Weight413.78 g/mol
Exact Mass413.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C\c1ccccc1O
InChIInChI=1S/C18H15ClF3N3O3/c19-13-6-5-12(18(20,21)22)9-14(13)24-16(27)7-8-17(28)25-23-10-11-3-1-2-4-15(11)26/h1-6,9-10,26H,7-8H2,(H,24,27)(H,25,28)/b23-10-
InChIKeyUQHITOQRQVTUGG-RMORIDSASA-N
XLogP3.93
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.78
LogP ≤ 53.93
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'}

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
N-(3-Chlorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439752
1-(4-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylidene]-5-oxopyrrolidine-3-carbohydrazide
CID 135492281
4-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-N-(4-fluorophenyl)-4-oxobutanamide
CID 135517031
N-[2-Chloro-5-(trifluoromethyl)phenyl]-3-{N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135829863
N-(4-fluorophenyl)-4-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxobutanamide
CID 135439722
N''-(5-chloro-2-hydroxybenzylidene)-4-(m-toluidino)-4-oxobutanehydrazide
CID 135492196
2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methyleneamino]acetamide
CID 135465371
N-(4-Chloro-2-methylphenyl)-3-{N'-[(E)-(2-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135613348
2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136224902
2-(3-chloro-4-fluoro-anilino)-N-[(E)-(2-hydroxyphenyl)methyleneamino]acetamide
CID 136400277
N-[2-Chloro-5-(trifluoromethyl)phenyl]-4-[(2Z)-2-(2,4-dihydroxybenzylidene)hydrazino]-4-oxobutanamide
CID 135899820

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide (CID 135899822) is N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C\c1ccccc1O.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is UQHITOQRQVTUGG-RMORIDSASA-N. The full InChI is InChI=1S/C18H15ClF3N3O3/c19-13-6-5-12(18(20,21)22)9-14(13)24-16(27)7-8-17(28)25-23-10-11-3-1-2-4-15(11)26/h1-6,9-10,26H,7-8H2,(H,24,27)(H,25,28)/b23-10-.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide has a molecular weight of 413.78 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 135899822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).