5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide

C12H10ClN3O5 — CID 63570004

IUPAC5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(Cl)c2)o1
InChIInChI=1S/C12H10ClN3O5/c13-9-5-7(1-3-10(9)16(18)19)20-6-8-2-4-11(21-8)12(17)15-14/h1-5H,6,14H2,(H,15,17)
InChIKeyVPHIDANMVRZZKO-UHFFFAOYSA-N
MW311.68 g/mol
LogP2.02
Rot. Bonds5

About 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide

5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63570004) has the molecular formula C12H10ClN3O5 and a molecular weight of 311.68 g/mol. Its IUPAC name is 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
PubChem CID63570004
Molecular FormulaC12H10ClN3O5
Molecular Weight311.68 g/mol
Exact Mass311.03
IUPAC Name5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(Cl)c2)o1
InChIInChI=1S/C12H10ClN3O5/c13-9-5-7(1-3-10(9)16(18)19)20-6-8-2-4-11(21-8)12(17)15-14/h1-5H,6,14H2,(H,15,17)
InChIKeyVPHIDANMVRZZKO-UHFFFAOYSA-N
XLogP2.02
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461733
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxylic acid
CID 7015957
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63568555
5-[(3-chloro-4-nitrophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 62113250
N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413316
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
5-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 19446107
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
CID 63568571
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide (CID 63570004) is 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(Cl)c2)o1.
What is the InChIKey of 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is VPHIDANMVRZZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O5/c13-9-5-7(1-3-10(9)16(18)19)20-6-8-2-4-11(21-8)12(17)15-14/h1-5H,6,14H2,(H,15,17).
What are the key properties of 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide?
5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 311.68 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-nitrophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63570004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).