N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide

C18H18FN3O4 — CID 135678705

IUPACN-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C18H18FN3O4/c1-26-16-10-12(2-7-15(16)23)11-20-22-18(25)9-8-17(24)21-14-5-3-13(19)4-6-14/h2-7,10-11,23H,8-9H2,1H3,(H,21,24)(H,22,25)/b20-11+
InChIKeyJBIBTPVATBCXQI-RGVLZGJSSA-N
MW359.36 g/mol
LogP2.41
Rot. Bonds7

About N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide

N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 135678705) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
PubChem CID135678705
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC NameN-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C18H18FN3O4/c1-26-16-10-12(2-7-15(16)23)11-20-22-18(25)9-8-17(24)21-14-5-3-13(19)4-6-14/h2-7,10-11,23H,8-9H2,1H3,(H,21,24)(H,22,25)/b20-11+
InChIKeyJBIBTPVATBCXQI-RGVLZGJSSA-N
XLogP2.41
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

4-Hydroxy-3-methoxybenzaldehyde phenylhydrazone
CID 135684904
N-(4-Bromophenyl)-4-(2-(4-HO-3-methoxybenzylidene)hydrazino)-4-oxobutanamide
CID 135684939
4-[2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 6875522
5-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 9655904
4-(Diphenyl-hydrazonomethyl)-2-methoxy-phenol
CID 135444096
1-[[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-phenylurea
CID 135455143
N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylidene]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135478328
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135625972
4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 402961
2-({2-[2-(3,4-dimethoxybenzylidene)hydrazino]-2-oxoethyl}thio)-N-phenylacetamide
CID 5344803
N'-(3,4-dimethoxybenzylidene)-2-hydroxy-4-quinolinecarbohydrazide
CID 5347123
N'-(3,4-dimethoxybenzylidene)-3-(4-phenyl-1-piperazinyl)propanohydrazide
CID 5435009

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide (CID 135678705) is N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide is COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(F)cc2)ccc1O.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is JBIBTPVATBCXQI-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-26-16-10-12(2-7-15(16)23)11-20-22-18(25)9-8-17(24)21-14-5-3-13(19)4-6-14/h2-7,10-11,23H,8-9H2,1H3,(H,21,24)(H,22,25)/b20-11+.
What are the key properties of N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide?
N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide has a molecular weight of 359.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 135678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).