5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide

C16H21ClFNO2 — CID 42961803

IUPAC5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
SMILESCC1CCCCC1OCCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C16H21ClFNO2/c1-11-4-2-3-5-15(11)21-9-8-19-16(20)13-10-12(17)6-7-14(13)18/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyQRXBNTPMUXXPPV-UHFFFAOYSA-N
MW313.80 g/mol
LogP3.80
Rot. Bonds5

About 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide

5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide (PubChem CID 42961803) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
PubChem CID42961803
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
SMILESCC1CCCCC1OCCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C16H21ClFNO2/c1-11-4-2-3-5-15(11)21-9-8-19-16(20)13-10-12(17)6-7-14(13)18/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyQRXBNTPMUXXPPV-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide (CID 42961803) is 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide is CC1CCCCC1OCCNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide?
The InChIKey is QRXBNTPMUXXPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c1-11-4-2-3-5-15(11)21-9-8-19-16(20)13-10-12(17)6-7-14(13)18/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide?
5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide has a molecular weight of 313.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide is sourced from PubChem (CID 42961803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).