N'-(4-bromobenzoyl)furan-2-carbohydrazide

C12H9BrN2O3 — CID 687073

IUPACN'-(4-bromobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrN2O3/c13-9-5-3-8(4-6-9)11(16)14-15-12(17)10-2-1-7-18-10/h1-7H,(H,14,16)(H,15,17)
InChIKeyLAUZVASLTUICTP-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.12
Rot. Bonds2

About N'-(4-bromobenzoyl)furan-2-carbohydrazide

N'-(4-bromobenzoyl)furan-2-carbohydrazide (PubChem CID 687073) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)furan-2-carbohydrazide
PubChem CID687073
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC NameN'-(4-bromobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrN2O3/c13-9-5-3-8(4-6-9)11(16)14-15-12(17)10-2-1-7-18-10/h1-7H,(H,14,16)(H,15,17)
InChIKeyLAUZVASLTUICTP-UHFFFAOYSA-N
XLogP2.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromophenyl)furan-2-carbohydrazide
CID 4287494
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004
N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide
CID 4620798
N'-(4-hexylbenzoyl)furan-2-carbohydrazide
CID 6733621
N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
CID 6272309
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)furan-2-carbohydrazide (CID 687073) is N'-(4-bromobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)furan-2-carbohydrazide is O=C(NNC(=O)c1ccco1)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)furan-2-carbohydrazide?
The InChIKey is LAUZVASLTUICTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c13-9-5-3-8(4-6-9)11(16)14-15-12(17)10-2-1-7-18-10/h1-7H,(H,14,16)(H,15,17).
What are the key properties of N'-(4-bromobenzoyl)furan-2-carbohydrazide?
N'-(4-bromobenzoyl)furan-2-carbohydrazide has a molecular weight of 309.12 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 687073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).