N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide

C15H20ClFN2O2 — CID 63870645

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide
SMILESNC1CCC(OCCNC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O2/c16-12-2-1-3-13(17)14(12)15(20)19-8-9-21-11-6-4-10(18)5-7-11/h1-3,10-11H,4-9,18H2,(H,19,20)
InChIKeyDBSIKXRGWADRPO-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide (PubChem CID 63870645) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide
PubChem CID63870645
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide
SMILESNC1CCC(OCCNC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O2/c16-12-2-1-3-13(17)14(12)15(20)19-8-9-21-11-6-4-10(18)5-7-11/h1-3,10-11H,4-9,18H2,(H,19,20)
InChIKeyDBSIKXRGWADRPO-UHFFFAOYSA-N
XLogP2.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide (CID 63870645) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide is NC1CCC(OCCNC(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide?
The InChIKey is DBSIKXRGWADRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c16-12-2-1-3-13(17)14(12)15(20)19-8-9-21-11-6-4-10(18)5-7-11/h1-3,10-11H,4-9,18H2,(H,19,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide has a molecular weight of 314.79 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 63870645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).