N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide

C21H19FN2O5 — CID 9090497

IUPACN'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C21H19FN2O5/c1-3-28-17-9-6-14(12-19(17)27-2)20(25)23-24-21(26)18-11-10-16(29-18)13-4-7-15(22)8-5-13/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJFCZCMVSVHQSRK-UHFFFAOYSA-N
MW398.39 g/mol
LogP3.57
Rot. Bonds6

About N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide

N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide (PubChem CID 9090497) has the molecular formula C21H19FN2O5 and a molecular weight of 398.39 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
PubChem CID9090497
Molecular FormulaC21H19FN2O5
Molecular Weight398.39 g/mol
Exact Mass398.13
IUPAC NameN'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C21H19FN2O5/c1-3-28-17-9-6-14(12-19(17)27-2)20(25)23-24-21(26)18-11-10-16(29-18)13-4-7-15(22)8-5-13/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJFCZCMVSVHQSRK-UHFFFAOYSA-N
XLogP3.57
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethoxy-3-methoxybenzoyl)-5-methylfuran-2-carbohydrazide
CID 25440674
N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 46656743
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
4-ethoxy-3-methoxy-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9439850
N'-(2-bromo-4-fluorobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 9151469
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide
CID 58924484
5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
CID 2355027
4-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126325384
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide (CID 9090497) is N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC.
What is the InChIKey of N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide?
The InChIKey is JFCZCMVSVHQSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O5/c1-3-28-17-9-6-14(12-19(17)27-2)20(25)23-24-21(26)18-11-10-16(29-18)13-4-7-15(22)8-5-13/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide?
N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide has a molecular weight of 398.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 9090497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).