N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide

C17H24FNO2 — CID 80710683

IUPACN-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCOC2CCCCC2)c1F
InChIInChI=1S/C17H24FNO2/c1-13-7-5-10-15(16(13)18)17(20)19-11-6-12-21-14-8-3-2-4-9-14/h5,7,10,14H,2-4,6,8-9,11-12H2,1H3,(H,19,20)
InChIKeyMFVRUECAJSCXIK-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.60
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide

N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide (PubChem CID 80710683) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
PubChem CID80710683
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC NameN-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCOC2CCCCC2)c1F
InChIInChI=1S/C17H24FNO2/c1-13-7-5-10-15(16(13)18)17(20)19-11-6-12-21-14-8-3-2-4-9-14/h5,7,10,14H,2-4,6,8-9,11-12H2,1H3,(H,19,20)
InChIKeyMFVRUECAJSCXIK-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
CID 39950494
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
3-chloro-2-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81264988
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide
CID 26549820
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide (CID 80710683) is N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NCCCOC2CCCCC2)c1F.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide?
The InChIKey is MFVRUECAJSCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13-7-5-10-15(16(13)18)17(20)19-11-6-12-21-14-8-3-2-4-9-14/h5,7,10,14H,2-4,6,8-9,11-12H2,1H3,(H,19,20).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide?
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide has a molecular weight of 293.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80710683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).