N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide

C16H19BrN2O3 — CID 4842706

IUPACN'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(Br)(C3)C1)C2)c1ccco1
InChIInChI=1S/C16H19BrN2O3/c17-16-7-10-4-11(8-16)6-15(5-10,9-16)14(21)19-18-13(20)12-2-1-3-22-12/h1-3,10-11H,4-9H2,(H,18,20)(H,19,21)
InChIKeyIBQFCQUCDSRRMW-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.77
Rot. Bonds2

About N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide

N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide (PubChem CID 4842706) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide
PubChem CID4842706
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC NameN'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(Br)(C3)C1)C2)c1ccco1
InChIInChI=1S/C16H19BrN2O3/c17-16-7-10-4-11(8-16)6-15(5-10,9-16)14(21)19-18-13(20)12-2-1-3-22-12/h1-3,10-11H,4-9H2,(H,18,20)(H,19,21)
InChIKeyIBQFCQUCDSRRMW-UHFFFAOYSA-N
XLogP2.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(furan-2-ylmethyl)adamantane-1-carboxamide
CID 78533747
(5R,7R)-3-bromo-N-[2-(4-hydroxyphenyl)ethyl]adamantane-1-carboxamide
CID 98471165
3-bromo-N'-(3-methoxy-4-propan-2-yloxybenzoyl)adamantane-1-carbohydrazide
CID 134014769
N-[2-(benzylsulfamoyl)ethyl]-3-bromoadamantane-1-carboxamide
CID 55795509
(5S,7R)-3-bromo-N-(4-chlorophenyl)adamantane-1-carboxamide
CID 8762451
3-bromo-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 5294904
(5R,7R)-N'-benzoyl-3-chloroadamantane-1-carbohydrazide
CID 98390702
(5S,7R)-3-bromo-N-(2-methoxyphenyl)adamantane-1-carboxamide
CID 7732999
(5S,7R)-N-(1-adamantyl)-3-bromoadamantane-1-carboxamide
CID 7732542
N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]furan-2-carbohydrazide
CID 154865742
3-bromo-N-[3-(methylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 16550312
N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938304

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide (CID 4842706) is N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(Br)(C3)C1)C2)c1ccco1.
What is the InChIKey of N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide?
The InChIKey is IBQFCQUCDSRRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c17-16-7-10-4-11(8-16)6-15(5-10,9-16)14(21)19-18-13(20)12-2-1-3-22-12/h1-3,10-11H,4-9H2,(H,18,20)(H,19,21).
What are the key properties of N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide?
N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide has a molecular weight of 367.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromoadamantane-1-carbonyl)furan-2-carbohydrazide is sourced from PubChem (CID 4842706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).