N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide

C15H19ClFNO2 — CID 106366906

IUPACN-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2CCl)cc1F
InChIInChI=1S/C15H19ClFNO2/c1-20-14-7-6-10(8-12(14)17)15(19)18-13-5-3-2-4-11(13)9-16/h6-8,11,13H,2-5,9H2,1H3,(H,18,19)
InChIKeyGSVCLKWTGMYSBY-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide

N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide (PubChem CID 106366906) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
PubChem CID106366906
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2CCl)cc1F
InChIInChI=1S/C15H19ClFNO2/c1-20-14-7-6-10(8-12(14)17)15(19)18-13-5-3-2-4-11(13)9-16/h6-8,11,13H,2-5,9H2,1H3,(H,18,19)
InChIKeyGSVCLKWTGMYSBY-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.36
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-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
CID 76978535
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide (CID 106366906) is N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCC2CCl)cc1F.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is GSVCLKWTGMYSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-20-14-7-6-10(8-12(14)17)15(19)18-13-5-3-2-4-11(13)9-16/h6-8,11,13H,2-5,9H2,1H3,(H,18,19).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide?
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 299.77 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 106366906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).