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

C19H16N4O6 — CID 152628740

IUPAC3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide
SMILESNCc1cccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H16N4O6/c20-10-11-2-1-3-12(8-11)14-6-7-29-17(14)19(26)22-21-18(25)13-4-5-16(24)15(9-13)23(27)28/h1-9,24H,10,20H2,(H,21,25)(H,22,26)
InChIKeyZDBJONGORDRHJS-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.09
Rot. Bonds5

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

3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide (PubChem CID 152628740) has the molecular formula C19H16N4O6 and a molecular weight of 396.36 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide
PubChem CID152628740
Molecular FormulaC19H16N4O6
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC Name3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide
SMILESNCc1cccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H16N4O6/c20-10-11-2-1-3-12(8-11)14-6-7-29-17(14)19(26)22-21-18(25)13-4-5-16(24)15(9-13)23(27)28/h1-9,24H,10,20H2,(H,21,25)(H,22,26)
InChIKeyZDBJONGORDRHJS-UHFFFAOYSA-N
XLogP2.09
TPSA160.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.09
H-Bond Donors ≤ 54
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

N'-(4-hydroxy-3-nitrobenzoyl)-3-[3-[(4-methoxyphenyl)methyl]phenyl]furan-2-carbohydrazide
CID 11677505
N'-(4-hydroxy-3-nitrobenzoyl)-3-(3-propan-2-ylphenyl)furan-2-carbohydrazide
CID 11690043
N'-(4-hydroxy-3-nitrobenzoyl)-3-[4-[(4-methylphenoxy)methyl]phenyl]furan-2-carbohydrazide
CID 70805956
N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
CID 175272274
N'-(4-hydroxy-3-nitrobenzoyl)-3-(2-pentan-2-ylphenyl)furan-2-carbohydrazide
CID 11539382
4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 166392215
N'-[4-(methoxymethoxy)-3-nitrobenzoyl]-3-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]furan-2-carbohydrazide
CID 88986085
N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide
CID 135347144
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 91647846
3-[3-(aminomethyl)phenyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 166392213
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
CID 57316858

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide?
The IUPAC name of 3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide (CID 152628740) is 3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide is NCc1cccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide?
The InChIKey is ZDBJONGORDRHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O6/c20-10-11-2-1-3-12(8-11)14-6-7-29-17(14)19(26)22-21-18(25)13-4-5-16(24)15(9-13)23(27)28/h1-9,24H,10,20H2,(H,21,25)(H,22,26).
What are the key properties of 3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide?
3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide has a molecular weight of 396.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenyl]-N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 152628740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).