4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide

C19H19Cl2N3O5 — CID 135810672

IUPAC4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C19H19Cl2N3O5/c20-13-4-6-17(15(21)8-13)29-7-1-2-18(27)22-11-19(28)24-23-10-12-3-5-14(25)9-16(12)26/h3-6,8-10,25-26H,1-2,7,11H2,(H,22,27)(H,24,28)/b23-10+
InChIKeyNSMCSNXCDTYSSC-AUEPDCJTSA-N
MW440.28 g/mol
LogP2.83
Rot. Bonds9

About 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide

4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide (PubChem CID 135810672) has the molecular formula C19H19Cl2N3O5 and a molecular weight of 440.28 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide
PubChem CID135810672
Molecular FormulaC19H19Cl2N3O5
Molecular Weight440.28 g/mol
Exact Mass439.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C19H19Cl2N3O5/c20-13-4-6-17(15(21)8-13)29-7-1-2-18(27)22-11-19(28)24-23-10-12-3-5-14(25)9-16(12)26/h3-6,8-10,25-26H,1-2,7,11H2,(H,22,27)(H,24,28)/b23-10+
InChIKeyNSMCSNXCDTYSSC-AUEPDCJTSA-N
XLogP2.83
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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': 'Aliphatic_long_chain', '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-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015
(2S)-2-(2,4-dichlorophenoxy)-N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]propanamide
CID 135887546
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135555046
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
CID 4169401
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
2-(4-chloro-2-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3564637
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 2293021
4-butoxy-N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822699

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide (CID 135810672) is 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide?
The InChIKey is NSMCSNXCDTYSSC-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H19Cl2N3O5/c20-13-4-6-17(15(21)8-13)29-7-1-2-18(27)22-11-19(28)24-23-10-12-3-5-14(25)9-16(12)26/h3-6,8-10,25-26H,1-2,7,11H2,(H,22,27)(H,24,28)/b23-10+.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide has a molecular weight of 440.28 g/mol, XLogP of 2.83, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide is sourced from PubChem (CID 135810672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).