N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide

C14H17ClFNO — CID 113271582

IUPACN-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2CCC(Cl)CC2)c1
InChIInChI=1S/C14H17ClFNO/c1-9-2-7-13(16)12(8-9)14(18)17-11-5-3-10(15)4-6-11/h2,7-8,10-11H,3-6H2,1H3,(H,17,18)
InChIKeyCDDKSYGCNPDXRB-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.41
Rot. Bonds2

About N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide

N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide (PubChem CID 113271582) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
PubChem CID113271582
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2CCC(Cl)CC2)c1
InChIInChI=1S/C14H17ClFNO/c1-9-2-7-13(16)12(8-9)14(18)17-11-5-3-10(15)4-6-11/h2,7-8,10-11H,3-6H2,1H3,(H,17,18)
InChIKeyCDDKSYGCNPDXRB-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
N-(1,1-dioxothian-4-yl)-2-fluoro-5-methylbenzamide
CID 62509384
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966079
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide (CID 113271582) is N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC2CCC(Cl)CC2)c1.
What is the InChIKey of N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide?
The InChIKey is CDDKSYGCNPDXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-9-2-7-13(16)12(8-9)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)-2-fluoro-5-methylbenzamide?
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide has a molecular weight of 269.75 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 113271582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).