N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide

C19H20ClN3O3 — CID 3355241

IUPACN'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2cc(Cl)ccc2O)cc1C
InChIInChI=1S/C19H20ClN3O3/c1-12-3-5-16(9-13(12)2)22-18(25)7-8-19(26)23-21-11-14-10-15(20)4-6-17(14)24/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyTVDBWQIECZYOHA-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.53
Rot. Bonds6

About N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide

N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide (PubChem CID 3355241) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
PubChem CID3355241
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2cc(Cl)ccc2O)cc1C
InChIInChI=1S/C19H20ClN3O3/c1-12-3-5-16(9-13(12)2)22-18(25)7-8-19(26)23-21-11-14-10-15(20)4-6-17(14)24/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyTVDBWQIECZYOHA-UHFFFAOYSA-N
XLogP3.53
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.53
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

N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 135715645
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931
N-(3,4-dimethylphenyl)-N'-[(2-hydroxyphenyl)methylideneamino]propanediamide
CID 4554672
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3299704
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135821656
N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4082454
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]butanediamide
CID 135567726
N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide
CID 3355238
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 2293021

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide?
The IUPAC name of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide (CID 3355241) is N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide.
What is the SMILES notation for N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide?
The canonical SMILES for N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide is Cc1ccc(NC(=O)CCC(=O)NN=Cc2cc(Cl)ccc2O)cc1C.
What is the InChIKey of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide?
The InChIKey is TVDBWQIECZYOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12-3-5-16(9-13(12)2)22-18(25)7-8-19(26)23-21-11-14-10-15(20)4-6-17(14)24/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide?
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide has a molecular weight of 373.84 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide is sourced from PubChem (CID 3355241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).