3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide

C17H16F2N2O — CID 113092337

IUPAC3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCCC1)c1cccc(F)c1
InChIInChI=1S/C17H16F2N2O/c18-13-5-3-4-12(10-13)17(22)20-15-11-14(19)6-7-16(15)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,20,22)
InChIKeyXCVWDJSWMZGKGT-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.82
Rot. Bonds3

About 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide

3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 113092337) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID113092337
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCCC1)c1cccc(F)c1
InChIInChI=1S/C17H16F2N2O/c18-13-5-3-4-12(10-13)17(22)20-15-11-14(19)6-7-16(15)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,20,22)
InChIKeyXCVWDJSWMZGKGT-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400397
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
3-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 1194264
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-fluorobenzamide
CID 24979568
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
N-[3-[(3-fluorophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326390

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide (CID 113092337) is 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1cc(F)ccc1N1CCCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is XCVWDJSWMZGKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-13-5-3-4-12(10-13)17(22)20-15-11-14(19)6-7-16(15)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,20,22).
What are the key properties of 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide?
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 302.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 113092337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).