5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

C13H16ClFN2O — CID 104971959

IUPAC5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CCCN1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O/c14-9-3-4-12(15)11(8-9)13(18)17-7-5-10-2-1-6-16-10/h3-4,8,10,16H,1-2,5-7H2,(H,17,18)/t10-/m1/s1
InChIKeyAAWRQZGEAUXBTM-SNVBAGLBSA-N
MW270.73 g/mol
LogP2.35
Rot. Bonds4

About 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (PubChem CID 104971959) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
PubChem CID104971959
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CCCN1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O/c14-9-3-4-12(15)11(8-9)13(18)17-7-5-10-2-1-6-16-10/h3-4,8,10,16H,1-2,5-7H2,(H,17,18)/t10-/m1/s1
InChIKeyAAWRQZGEAUXBTM-SNVBAGLBSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2-fluoro-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971818
5-chloro-2-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793853
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide
CID 117044847
2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide
CID 79749077
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 116917007

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (CID 104971959) is 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is O=C(NCC[C@H]1CCCN1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is AAWRQZGEAUXBTM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-9-3-4-12(15)11(8-9)13(18)17-7-5-10-2-1-6-16-10/h3-4,8,10,16H,1-2,5-7H2,(H,17,18)/t10-/m1/s1.
What are the key properties of 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 270.73 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 104971959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).