4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide

C16H23FN2O2 — CID 63188539

IUPAC4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)NCCCOC2CCCCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c17-14-11-12(7-8-15(14)18)16(20)19-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10,18H2,(H,19,20)
InChIKeyNYBRIQZZFVXECD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.88
Rot. Bonds6

About 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide

4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide (PubChem CID 63188539) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
PubChem CID63188539
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)NCCCOC2CCCCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c17-14-11-12(7-8-15(14)18)16(20)19-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10,18H2,(H,19,20)
InChIKeyNYBRIQZZFVXECD-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
CID 106006332
N-[2-[[N-(3-cyclohexyloxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111398263
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
N-(3-cyclopentyloxypropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49002568
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46613191

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide (CID 63188539) is 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide is Nc1ccc(C(=O)NCCCOC2CCCCC2)cc1F.
What is the InChIKey of 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide?
The InChIKey is NYBRIQZZFVXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-14-11-12(7-8-15(14)18)16(20)19-9-4-10-21-13-5-2-1-3-6-13/h7-8,11,13H,1-6,9-10,18H2,(H,19,20).
What are the key properties of 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide?
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide is sourced from PubChem (CID 63188539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).