N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide

C14H17N3O2 — CID 113400267

IUPACN-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
SMILESCc1cc(NN)ccc1C(=O)NCCc1ccco1
InChIInChI=1S/C14H17N3O2/c1-10-9-11(17-15)4-5-13(10)14(18)16-7-6-12-3-2-8-19-12/h2-5,8-9,17H,6-7,15H2,1H3,(H,16,18)
InChIKeyKZUHORYNCKFWCL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide

N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide (PubChem CID 113400267) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
PubChem CID113400267
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
SMILESCc1cc(NN)ccc1C(=O)NCCc1ccco1
InChIInChI=1S/C14H17N3O2/c1-10-9-11(17-15)4-5-13(10)14(18)16-7-6-12-3-2-8-19-12/h2-5,8-9,17H,6-7,15H2,1H3,(H,16,18)
InChIKeyKZUHORYNCKFWCL-UHFFFAOYSA-N
XLogP1.85
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-hydrazinylbenzamide
CID 62249792
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103296184
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
N-[3-(furan-2-yl)propyl]-2,5-dimethylbenzamide
CID 100623229
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
CID 107818129
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide (CID 113400267) is N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide is Cc1cc(NN)ccc1C(=O)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide?
The InChIKey is KZUHORYNCKFWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-9-11(17-15)4-5-13(10)14(18)16-7-6-12-3-2-8-19-12/h2-5,8-9,17H,6-7,15H2,1H3,(H,16,18).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide?
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide has a molecular weight of 259.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide is sourced from PubChem (CID 113400267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).