N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide

C17H17FN2O — CID 110295195

IUPACN-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H17FN2O/c18-14-4-3-5-15(12-14)19-17(21)13-6-8-16(9-7-13)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyDKFKUBINMILDHF-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.68
Rot. Bonds3

About N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide

N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide (PubChem CID 110295195) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
PubChem CID110295195
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H17FN2O/c18-14-4-3-5-15(12-14)19-17(21)13-6-8-16(9-7-13)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyDKFKUBINMILDHF-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109270326
2-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270317
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246036
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
4-fluoro-N-[4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide
CID 44528282
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide (CID 110295195) is N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide is O=C(Nc1cccc(F)c1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide?
The InChIKey is DKFKUBINMILDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-4-3-5-15(12-14)19-17(21)13-6-8-16(9-7-13)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide?
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide has a molecular weight of 284.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 110295195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).