N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide

C15H22FN3O2 — CID 63833449

IUPACN-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)NCCOC1CCCCC1
InChIInChI=1S/C15H22FN3O2/c16-13-8-4-7-12(14(13)19-17)15(20)18-9-10-21-11-5-2-1-3-6-11/h4,7-8,11,19H,1-3,5-6,9-10,17H2,(H,18,20)
InChIKeySMQVNFBXYUOQSJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.19
Rot. Bonds6

About N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide

N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide (PubChem CID 63833449) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
PubChem CID63833449
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)NCCOC1CCCCC1
InChIInChI=1S/C15H22FN3O2/c16-13-8-4-7-12(14(13)19-17)15(20)18-9-10-21-11-5-2-1-3-6-11/h4,7-8,11,19H,1-3,5-6,9-10,17H2,(H,18,20)
InChIKeySMQVNFBXYUOQSJ-UHFFFAOYSA-N
XLogP2.19
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 112575924
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 103995768
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
CID 106501857
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
N-(2-cyclopentyloxyethyl)-6-hydrazinylpyridazine-3-carboxamide
CID 63832738
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide (CID 63833449) is N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide is NNc1c(F)cccc1C(=O)NCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is SMQVNFBXYUOQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-13-8-4-7-12(14(13)19-17)15(20)18-9-10-21-11-5-2-1-3-6-11/h4,7-8,11,19H,1-3,5-6,9-10,17H2,(H,18,20).
What are the key properties of N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide?
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 295.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 63833449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).