N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide

C18H12ClN3O6 — CID 9476412

IUPACN'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H12ClN3O6/c19-12-5-8-15(14(10-12)22(25)26)28-13-6-3-11(4-7-13)17(23)20-21-18(24)16-2-1-9-27-16/h1-10H,(H,20,23)(H,21,24)
InChIKeyORRUXCIDEKURJX-UHFFFAOYSA-N
MW401.76 g/mol
LogP3.71
Rot. Bonds5

About N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide

N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide (PubChem CID 9476412) has the molecular formula C18H12ClN3O6 and a molecular weight of 401.76 g/mol. Its IUPAC name is N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
PubChem CID9476412
Molecular FormulaC18H12ClN3O6
Molecular Weight401.76 g/mol
Exact Mass401.04
IUPAC NameN'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H12ClN3O6/c19-12-5-8-15(14(10-12)22(25)26)28-13-6-3-11(4-7-13)17(23)20-21-18(24)16-2-1-9-27-16/h1-10H,(H,20,23)(H,21,24)
InChIKeyORRUXCIDEKURJX-UHFFFAOYSA-N
XLogP3.71
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.76
LogP ≤ 53.71
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]-2,5-dimethylfuran-3-carbohydrazide
CID 26820570
N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide
CID 135347144
4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide
CID 78783374
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
CID 175272274
4-(4-chloro-2-nitrophenoxy)-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide
CID 46570508
4-(4-chloro-2-nitrophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)benzamide
CID 9292915
4-(5-chloro-2-nitrophenoxy)benzoic acid
CID 62306362
N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 1103084
N-[(Z)-[4-(4-chloro-2-nitrophenoxy)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9359465
4-(4-chloro-2-nitrophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513280
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate
CID 29395314

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide (CID 9476412) is N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide is O=C(NNC(=O)c1ccco1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide?
The InChIKey is ORRUXCIDEKURJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O6/c19-12-5-8-15(14(10-12)22(25)26)28-13-6-3-11(4-7-13)17(23)20-21-18(24)16-2-1-9-27-16/h1-10H,(H,20,23)(H,21,24).
What are the key properties of N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide?
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide has a molecular weight of 401.76 g/mol, XLogP of 3.71, 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]furan-2-carbohydrazide is sourced from PubChem (CID 9476412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).