N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide

C26H21N3O7 — CID 11677505

IUPACN'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide
SMILESCOc1ccc(Cc2cccc(-c3ccoc3C(=O)NNC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)cc1
InChIInChI=1S/C26H21N3O7/c1-35-20-8-5-16(6-9-20)13-17-3-2-4-18(14-17)21-11-12-36-24(21)26(32)28-27-25(31)19-7-10-23(30)22(15-19)29(33)34/h2-12,14-15,30H,13H2,1H3,(H,27,31)(H,28,32)
InChIKeyUNEXVIKCOSFBNF-UHFFFAOYSA-N
MW487.47 g/mol
LogP4.23
Rot. Bonds7

About N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide

N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide (PubChem CID 11677505) has the molecular formula C26H21N3O7 and a molecular weight of 487.47 g/mol. Its IUPAC name is N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide
PubChem CID11677505
Molecular FormulaC26H21N3O7
Molecular Weight487.47 g/mol
Exact Mass487.14
IUPAC NameN'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide
SMILESCOc1ccc(Cc2cccc(-c3ccoc3C(=O)NNC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)cc1
InChIInChI=1S/C26H21N3O7/c1-35-20-8-5-16(6-9-20)13-17-3-2-4-18(14-17)21-11-12-36-24(21)26(32)28-27-25(31)19-7-10-23(30)22(15-19)29(33)34/h2-12,14-15,30H,13H2,1H3,(H,27,31)(H,28,32)
InChIKeyUNEXVIKCOSFBNF-UHFFFAOYSA-N
XLogP4.23
TPSA143.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide
CID 152628740
N'-(4-hydroxy-3-nitrobenzoyl)-3-[4-[(4-methylphenoxy)methyl]phenyl]furan-2-carbohydrazide
CID 70805956
N'-(4-hydroxy-3-nitrobenzoyl)-3-(3-propan-2-ylphenyl)furan-2-carbohydrazide
CID 11690043
N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide
CID 11539382
N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
CID 175272274
3-(3-aminophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide
CID 66615255
N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide
CID 88986085
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
4-hydroxy-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
CID 67313299
4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 99717489
2-[2-bromo-4-[(4-methoxyphenyl)methyl]-6-nitrophenyl]furan
CID 168525951
4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 7749788

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide?
The IUPAC name of N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide (CID 11677505) is N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide?
The canonical SMILES for N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide is COc1ccc(Cc2cccc(-c3ccoc3C(=O)NNC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)cc1.
What is the InChIKey of N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide?
The InChIKey is UNEXVIKCOSFBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O7/c1-35-20-8-5-16(6-9-20)13-17-3-2-4-18(14-17)21-11-12-36-24(21)26(32)28-27-25(31)19-7-10-23(30)22(15-19)29(33)34/h2-12,14-15,30H,13H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide?
N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide has a molecular weight of 487.47 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide is sourced from PubChem (CID 11677505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).