N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide

C25H21N3O4 — CID 68862321

IUPACN'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)cc1N
InChIInChI=1S/C25H21N3O4/c1-31-21-13-12-18(14-20(21)26)24(29)27-28-25(30)23-22(17-10-6-3-7-11-17)19(15-32-23)16-8-4-2-5-9-16/h2-15H,26H2,1H3,(H,27,29)(H,28,30)
InChIKeyZSWVEPZCCLBSMQ-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.28
Rot. Bonds5

About N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide

N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (PubChem CID 68862321) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
PubChem CID68862321
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)cc1N
InChIInChI=1S/C25H21N3O4/c1-31-21-13-12-18(14-20(21)26)24(29)27-28-25(30)23-22(17-10-6-3-7-11-17)19(15-32-23)16-8-4-2-5-9-16/h2-15H,26H2,1H3,(H,27,29)(H,28,30)
InChIKeyZSWVEPZCCLBSMQ-UHFFFAOYSA-N
XLogP4.28
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
CID 68864244
N'-(3,4-dimethoxybenzoyl)-3-phenylfuran-2-carbohydrazide
CID 34977030
[2-(hydrazinecarbonyl)-4-methoxy-3-nitrobenzoyl] 3,4-diphenylfuran-2-carboxylate
CID 87605024
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide
CID 43498531
3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18322927
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
CID 43498513
3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 16792404
ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 140996203
methyl 4-methoxy-3-phenylbenzoate
CID 11010121

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The IUPAC name of N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (CID 68862321) is N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The canonical SMILES for N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)cc1N.
What is the InChIKey of N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The InChIKey is ZSWVEPZCCLBSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-31-21-13-12-18(14-20(21)26)24(29)27-28-25(30)23-22(17-10-6-3-7-11-17)19(15-32-23)16-8-4-2-5-9-16/h2-15H,26H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide has a molecular weight of 427.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-4-methoxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is sourced from PubChem (CID 68862321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).