N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide

C20H16ClN3O6 — CID 26820570

IUPACN'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)o1
InChIInChI=1S/C20H16ClN3O6/c1-11-9-16(12(2)29-11)20(26)23-22-19(25)13-3-6-15(7-4-13)30-18-8-5-14(21)10-17(18)24(27)28/h3-10H,1-2H3,(H,22,25)(H,23,26)
InChIKeyLOMNIXSVSVIWKB-UHFFFAOYSA-N
MW429.82 g/mol
LogP4.33
Rot. Bonds5

About N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 26820570) has the molecular formula C20H16ClN3O6 and a molecular weight of 429.82 g/mol. Its IUPAC name is N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID26820570
Molecular FormulaC20H16ClN3O6
Molecular Weight429.82 g/mol
Exact Mass429.07
IUPAC NameN'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)o1
InChIInChI=1S/C20H16ClN3O6/c1-11-9-16(12(2)29-11)20(26)23-22-19(25)13-3-6-15(7-4-13)30-18-8-5-14(21)10-17(18)24(27)28/h3-10H,1-2H3,(H,22,25)(H,23,26)
InChIKeyLOMNIXSVSVIWKB-UHFFFAOYSA-N
XLogP4.33
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.82
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
CID 9476412
4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide
CID 78783374
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide
CID 9156552
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate
CID 29395314
4-(4-chloro-2-nitrophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513280
N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9359465
4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 55537461
[2-(ethylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate
CID 2581235
4-(4-chloro-2-nitrophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 9227098
N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 9277093
[4-(4-chloro-2-nitrophenoxy)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 26761253

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 26820570) is N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(C)o1.
What is the InChIKey of N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is LOMNIXSVSVIWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O6/c1-11-9-16(12(2)29-11)20(26)23-22-19(25)13-3-6-15(7-4-13)30-18-8-5-14(21)10-17(18)24(27)28/h3-10H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 429.82 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 26820570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).