N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

C17H16FN3O4 — CID 135459108

IUPACN'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C17H16FN3O4/c1-2-25-15-9-11(3-8-14(15)22)10-19-21-17(24)16(23)20-13-6-4-12(18)5-7-13/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKeyLHZAPCAVMNVKID-VXLYETTFSA-N
MW345.33 g/mol
LogP2.02
Rot. Bonds5

About N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (PubChem CID 135459108) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
PubChem CID135459108
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC NameN'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C17H16FN3O4/c1-2-25-15-9-11(3-8-14(15)22)10-19-21-17(24)16(23)20-13-6-4-12(18)5-7-13/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKeyLHZAPCAVMNVKID-VXLYETTFSA-N
XLogP2.02
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-(4-Bromophenyl)-4-(2-(4-HO-3-methoxybenzylidene)hydrazino)-4-oxobutanamide
CID 135684939
2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxo-N-phenylacetamide
CID 9592805
1-[[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-phenylurea
CID 135455143
4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 402961
N-(3-chlorophenyl)-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 334737
2-({2-[2-(3,4-dimethoxybenzylidene)hydrazino]-2-oxoethyl}thio)-N-phenylacetamide
CID 5344803
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-methoxyanilino)acetamide
CID 6892911
2-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 135419650
2-({2-[2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoethyl}thio)-N-phenylacetamide
CID 135438761
(E)-3-(2-(4-Hydroxy-3-methoxybenzylidene)hydrazinyl)quinoxalin-2(1H)-one
CID 135439684
3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135439767
N-(3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135693604

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (CID 135459108) is N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1O.
What is the InChIKey of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The InChIKey is LHZAPCAVMNVKID-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-2-25-15-9-11(3-8-14(15)22)10-19-21-17(24)16(23)20-13-6-4-12(18)5-7-13/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+.
What are the key properties of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide has a molecular weight of 345.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 135459108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).