5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide

C15H13BrN2O2 — CID 2170922

IUPAC5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide
SMILESO=C(NNC1=CCCc2ccccc21)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O2/c16-14-9-8-13(20-14)15(19)18-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6-9,17H,3,5H2,(H,18,19)
InChIKeyHXCMNMGYYCHKBW-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.26
Rot. Bonds3

About 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide

5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide (PubChem CID 2170922) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide
PubChem CID2170922
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide
SMILESO=C(NNC1=CCCc2ccccc21)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O2/c16-14-9-8-13(20-14)15(19)18-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6-9,17H,3,5H2,(H,18,19)
InChIKeyHXCMNMGYYCHKBW-UHFFFAOYSA-N
XLogP3.26
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.26
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

5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide
CID 1048509
N-(3,4-dihydronaphthalen-1-yl)acetamide
CID 10176439
benzene;N-(3,4-dihydronaphthalen-1-yl)acetamide
CID 159354733
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
fluoromethane;N-methyl-3,4-dihydronaphthalen-1-amine
CID 144557544
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide
CID 5121277
trans-(1R,2R)-2-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate
CID 7310004
5-bromo-N'-(1-pyridin-4-ylethenyl)furan-2-carbohydrazide
CID 4745345

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide (CID 2170922) is 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide is O=C(NNC1=CCCc2ccccc21)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide?
The InChIKey is HXCMNMGYYCHKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-14-9-8-13(20-14)15(19)18-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6-9,17H,3,5H2,(H,18,19).
What are the key properties of 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide?
5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide has a molecular weight of 333.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide is sourced from PubChem (CID 2170922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).