N-(3-cyclohexyloxypropyl)-4-fluorobenzamide

C16H22FNO2 — CID 60668652

IUPACN-(3-cyclohexyloxypropyl)-4-fluorobenzamide
SMILESO=C(NCCCOC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c17-14-9-7-13(8-10-14)16(19)18-11-4-12-20-15-5-2-1-3-6-15/h7-10,15H,1-6,11-12H2,(H,18,19)
InChIKeyMVSFNNOXNWADJK-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.29
Rot. Bonds6

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

N-(3-cyclohexyloxypropyl)-4-fluorobenzamide (PubChem CID 60668652) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-4-fluorobenzamide
PubChem CID60668652
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC NameN-(3-cyclohexyloxypropyl)-4-fluorobenzamide
SMILESO=C(NCCCOC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c17-14-9-7-13(8-10-14)16(19)18-11-4-12-20-15-5-2-1-3-6-15/h7-10,15H,1-6,11-12H2,(H,18,19)
InChIKeyMVSFNNOXNWADJK-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
CID 123167407
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide
CID 119058692
N-[2-[[N-(3-cyclohexyloxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111398263
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-(3-cyclopentyloxypropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49002568
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-4-fluorobenzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-4-fluorobenzamide (CID 60668652) is N-(3-cyclohexyloxypropyl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-4-fluorobenzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-4-fluorobenzamide is O=C(NCCCOC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-4-fluorobenzamide?
The InChIKey is MVSFNNOXNWADJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-14-9-7-13(8-10-14)16(19)18-11-4-12-20-15-5-2-1-3-6-15/h7-10,15H,1-6,11-12H2,(H,18,19).
What are the key properties of N-(3-cyclohexyloxypropyl)-4-fluorobenzamide?
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide has a molecular weight of 279.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-4-fluorobenzamide is sourced from PubChem (CID 60668652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).