N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide

C14H17ClFNO — CID 114301095

IUPACN-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2Cl)ccc1F
InChIInChI=1S/C14H17ClFNO/c1-9-8-10(6-7-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h6-8,11,13H,2-5H2,1H3,(H,17,18)
InChIKeyHKNVNYACRQGRBT-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.41
Rot. Bonds2

About N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide

N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide (PubChem CID 114301095) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
PubChem CID114301095
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2Cl)ccc1F
InChIInChI=1S/C14H17ClFNO/c1-9-8-10(6-7-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h6-8,11,13H,2-5H2,1H3,(H,17,18)
InChIKeyHKNVNYACRQGRBT-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

4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide
CID 106444087
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
CID 63213326
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
N-(1,1-dioxothian-4-yl)-4-fluoro-3-methylbenzamide
CID 63212616

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide (CID 114301095) is N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NC2CCCCC2Cl)ccc1F.
What is the InChIKey of N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide?
The InChIKey is HKNVNYACRQGRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-9-8-10(6-7-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h6-8,11,13H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide?
N-(2-chlorocyclohexyl)-4-fluoro-3-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-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 114301095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).