3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide

C21H23ClFNO3 — CID 70790010

IUPAC3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide
SMILESCCOc1cc(C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO3/c1-2-26-19-12-15(21(25)24-17-5-3-4-6-17)11-18(22)20(19)27-13-14-7-9-16(23)10-8-14/h7-12,17H,2-6,13H2,1H3,(H,24,25)
InChIKeyPGKIZSDLUOCHKY-UHFFFAOYSA-N
MW391.87 g/mol
LogP5.13
Rot. Bonds7

About 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide

3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 70790010) has the molecular formula C21H23ClFNO3 and a molecular weight of 391.87 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide
PubChem CID70790010
Molecular FormulaC21H23ClFNO3
Molecular Weight391.87 g/mol
Exact Mass391.14
IUPAC Name3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide
SMILESCCOc1cc(C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO3/c1-2-26-19-12-15(21(25)24-17-5-3-4-6-17)11-18(22)20(19)27-13-14-7-9-16(23)10-8-14/h7-12,17H,2-6,13H2,1H3,(H,24,25)
InChIKeyPGKIZSDLUOCHKY-UHFFFAOYSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.87
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
CID 91682346
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 11948820
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331560
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
CID 70789999
2-[(Z)-[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 6009951
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclobutanamine;hydron;chloride
CID 70790004
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716543
N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119475557
4-[[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17295331
2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol
CID 2200261
methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 8706924

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide (CID 70790010) is 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide is CCOc1cc(C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1.
What is the InChIKey of 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is PGKIZSDLUOCHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO3/c1-2-26-19-12-15(21(25)24-17-5-3-4-6-17)11-18(22)20(19)27-13-14-7-9-16(23)10-8-14/h7-12,17H,2-6,13H2,1H3,(H,24,25).
What are the key properties of 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide?
3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 391.87 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 70790010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).