N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide

C17H16ClN3O4 — CID 2293021

IUPACN-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C17H16ClN3O4/c18-12-2-4-13(5-3-12)20-16(24)7-8-17(25)21-19-10-11-1-6-14(22)9-15(11)23/h1-6,9-10,22-23H,7-8H2,(H,20,24)(H,21,25)
InChIKeyDKJSGZMGSVNAQR-UHFFFAOYSA-N
MW361.79 g/mol
LogP2.62
Rot. Bonds6

About N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide

N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide (PubChem CID 2293021) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
PubChem CID2293021
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC NameN-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C17H16ClN3O4/c18-12-2-4-13(5-3-12)20-16(24)7-8-17(25)21-19-10-11-1-6-14(22)9-15(11)23/h1-6,9-10,22-23H,7-8H2,(H,20,24)(H,21,25)
InChIKeyDKJSGZMGSVNAQR-UHFFFAOYSA-N
XLogP2.62
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 135560200
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135824362
2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3247783
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 135715645
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 3355241
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide (CID 2293021) is N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccc(Cl)cc1)NN=Cc1ccc(O)cc1O.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is DKJSGZMGSVNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c18-12-2-4-13(5-3-12)20-16(24)7-8-17(25)21-19-10-11-1-6-14(22)9-15(11)23/h1-6,9-10,22-23H,7-8H2,(H,20,24)(H,21,25).
What are the key properties of N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide?
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide has a molecular weight of 361.79 g/mol, XLogP of 2.62, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 2293021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).