N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide

C18H17FN2O2 — CID 109051768

IUPACN-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H17FN2O2/c19-15-7-4-8-16(12-15)20-17(22)13-5-3-6-14(11-13)18(23)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,20,22)
InChIKeyDRCHRQPILDCFGJ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.31
Rot. Bonds3

About N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide

N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109051768) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109051768
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H17FN2O2/c19-15-7-4-8-16(12-15)20-17(22)13-5-3-6-14(11-13)18(23)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,20,22)
InChIKeyDRCHRQPILDCFGJ-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
3-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 109056705
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901
3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055003
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
2-fluoro-6-hydroxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 99619341
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide (CID 109051768) is N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide is O=C(Nc1cccc(F)c1)c1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is DRCHRQPILDCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-7-4-8-16(12-15)20-17(22)13-5-3-6-14(11-13)18(23)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide?
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 312.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109051768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).