azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone

C13H18ClN3O — CID 62248828

IUPACazepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
SMILESNNc1ccc(Cl)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C13H18ClN3O/c14-10-5-6-12(16-15)11(9-10)13(18)17-7-3-1-2-4-8-17/h5-6,9,16H,1-4,7-8,15H2
InChIKeyVYHGIVQKDMRPKA-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.64
Rot. Bonds2

About azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone

azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone (PubChem CID 62248828) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
PubChem CID62248828
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Nameazepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
SMILESNNc1ccc(Cl)cc1C(=O)N1CCCCCC1
InChIInChI=1S/C13H18ClN3O/c14-10-5-6-12(16-15)11(9-10)13(18)17-7-3-1-2-4-8-17/h5-6,9,16H,1-4,7-8,15H2
InChIKeyVYHGIVQKDMRPKA-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
CID 49191872
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(5-chloro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967669
2-[4-chloro-2-(piperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607785
(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977702
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62237710
(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540969
(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone?
The IUPAC name of azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone (CID 62248828) is azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone is NNc1ccc(Cl)cc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone?
The InChIKey is VYHGIVQKDMRPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-10-5-6-12(16-15)11(9-10)13(18)17-7-3-1-2-4-8-17/h5-6,9,16H,1-4,7-8,15H2.
What are the key properties of azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone?
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone is sourced from PubChem (CID 62248828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).