N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide

C19H19ClFNO3 — CID 10248176

IUPACN-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H19ClFNO3/c1-24-16-10-9-12(11-17(16)25-13-5-2-3-6-13)19(23)22-18-14(20)7-4-8-15(18)21/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,23)
InChIKeyDOLGQELLEXSAGJ-UHFFFAOYSA-N
MW363.82 g/mol
LogP5.06
Rot. Bonds5

About N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide

N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide (PubChem CID 10248176) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide
PubChem CID10248176
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC NameN-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cccc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H19ClFNO3/c1-24-16-10-9-12(11-17(16)25-13-5-2-3-6-13)19(23)22-18-14(20)7-4-8-15(18)21/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,23)
InChIKeyDOLGQELLEXSAGJ-UHFFFAOYSA-N
XLogP5.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.82
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide (CID 10248176) is N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(F)cccc2Cl)cc1OC1CCCC1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide?
The InChIKey is DOLGQELLEXSAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-24-16-10-9-12(11-17(16)25-13-5-2-3-6-13)19(23)22-18-14(20)7-4-8-15(18)21/h4,7-11,13H,2-3,5-6H2,1H3,(H,22,23).
What are the key properties of N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide?
N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide has a molecular weight of 363.82 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-3-cyclopentyloxy-4-methoxybenzamide is sourced from PubChem (CID 10248176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).