4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide

C19H21FN2O2 — CID 167775279

IUPAC4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C1CCNC1
InChIInChI=1S/C19H21FN2O2/c1-13(15-10-11-21-12-15)22-19(23)14-2-6-17(7-3-14)24-18-8-4-16(20)5-9-18/h2-9,13,15,21H,10-12H2,1H3,(H,22,23)
InChIKeyKCBKWSUMALPHRW-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.35
Rot. Bonds5

About 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide

4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide (PubChem CID 167775279) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
PubChem CID167775279
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C1CCNC1
InChIInChI=1S/C19H21FN2O2/c1-13(15-10-11-21-12-15)22-19(23)14-2-6-17(7-3-14)24-18-8-4-16(20)5-9-18/h2-9,13,15,21H,10-12H2,1H3,(H,22,23)
InChIKeyKCBKWSUMALPHRW-UHFFFAOYSA-N
XLogP3.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977231
4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977142
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977256
4-fluoro-3-methoxy-N-(1-piperidin-4-ylethyl)benzamide
CID 81283731
4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide
CID 24714532

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide (CID 167775279) is 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide is CC(NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C1CCNC1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is KCBKWSUMALPHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13(15-10-11-21-12-15)22-19(23)14-2-6-17(7-3-14)24-18-8-4-16(20)5-9-18/h2-9,13,15,21H,10-12H2,1H3,(H,22,23).
What are the key properties of 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide?
4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 167775279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).