N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide

C20H21FN2O3 — CID 38455253

IUPACN-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H21FN2O3/c21-15-7-5-14(6-8-15)20(25)22-13-19(24)23-16-9-11-18(12-10-16)26-17-3-1-2-4-17/h5-12,17H,1-4,13H2,(H,22,25)(H,23,24)
InChIKeyHKCSNWOLEREMIY-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide

N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 38455253) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID38455253
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H21FN2O3/c21-15-7-5-14(6-8-15)20(25)22-13-19(24)23-16-9-11-18(12-10-16)26-17-3-1-2-4-17/h5-12,17H,1-4,13H2,(H,22,25)(H,23,24)
InChIKeyHKCSNWOLEREMIY-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
2-(cyclooctylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 9265208
3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
CID 113385178
2-(cyclopentyloxyamino)-N-(4-fluorophenyl)acetamide
CID 83228602
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
4-cyclopentyloxy-N-(4-methylsulfanylphenyl)benzamide
CID 39100305
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
CID 23624715

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide (CID 38455253) is N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is HKCSNWOLEREMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-15-7-5-14(6-8-15)20(25)22-13-19(24)23-16-9-11-18(12-10-16)26-17-3-1-2-4-17/h5-12,17H,1-4,13H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide?
N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 356.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 38455253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).