N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide

C14H17ClFNO2 — CID 113271600

IUPACN-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC(Cl)CC2)ccc1F
InChIInChI=1S/C14H17ClFNO2/c1-19-13-8-9(2-7-12(13)16)14(18)17-11-5-3-10(15)4-6-11/h2,7-8,10-11H,3-6H2,1H3,(H,17,18)
InChIKeyXNZJOKCEPUSDHU-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.11
Rot. Bonds3

About N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide

N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide (PubChem CID 113271600) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
PubChem CID113271600
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC NameN-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC(Cl)CC2)ccc1F
InChIInChI=1S/C14H17ClFNO2/c1-19-13-8-9(2-7-12(13)16)14(18)17-11-5-3-10(15)4-6-11/h2,7-8,10-11H,3-6H2,1H3,(H,17,18)
InChIKeyXNZJOKCEPUSDHU-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(4-chlorocyclohexyl)-4-methoxy-3-nitrobenzamide
CID 114297314
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
N-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716
N-cyclobutyl-4-iodo-3-methoxybenzamide
CID 155908714
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide (CID 113271600) is N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC2CCC(Cl)CC2)ccc1F.
What is the InChIKey of N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is XNZJOKCEPUSDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-19-13-8-9(2-7-12(13)16)14(18)17-11-5-3-10(15)4-6-11/h2,7-8,10-11H,3-6H2,1H3,(H,17,18).
What are the key properties of N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide?
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide has a molecular weight of 285.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 113271600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).