5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide

C14H13BrN2O5 — CID 2355027

IUPAC5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)o2)cc1OC
InChIInChI=1S/C14H13BrN2O5/c1-20-9-4-3-8(7-11(9)21-2)13(18)16-17-14(19)10-5-6-12(15)22-10/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyYAZCSPFFRUPUDO-UHFFFAOYSA-N
MW369.17 g/mol
LogP2.13
Rot. Bonds4

About 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide

5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide (PubChem CID 2355027) has the molecular formula C14H13BrN2O5 and a molecular weight of 369.17 g/mol. Its IUPAC name is 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
PubChem CID2355027
Molecular FormulaC14H13BrN2O5
Molecular Weight369.17 g/mol
Exact Mass368.00
IUPAC Name5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)o2)cc1OC
InChIInChI=1S/C14H13BrN2O5/c1-20-9-4-3-8(7-11(9)21-2)13(18)16-17-14(19)10-5-6-12(15)22-10/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyYAZCSPFFRUPUDO-UHFFFAOYSA-N
XLogP2.13
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromofuran-2-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione
CID 159254537
N'-(4-ethoxy-3-methoxybenzoyl)-5-methylfuran-2-carbohydrazide
CID 25440674
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
CID 9090497
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide
CID 38759705
1-[(5-bromofuran-2-carbonyl)amino]-3-(4-methoxyphenyl)urea
CID 17381934

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide (CID 2355027) is 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(Br)o2)cc1OC.
What is the InChIKey of 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide?
The InChIKey is YAZCSPFFRUPUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O5/c1-20-9-4-3-8(7-11(9)21-2)13(18)16-17-14(19)10-5-6-12(15)22-10/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide?
5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide has a molecular weight of 369.17 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 2355027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).