3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide

C11H12ClFN2O — CID 82878959

IUPAC3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN2O/c12-9-5-7(1-2-10(9)13)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m1/s1
InChIKeyWAMBMPUJQXLXNR-MRVPVSSYSA-N
MW242.68 g/mol
LogP1.57
Rot. Bonds2

About 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide

3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 82878959) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID82878959
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN2O/c12-9-5-7(1-2-10(9)13)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m1/s1
InChIKeyWAMBMPUJQXLXNR-MRVPVSSYSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
CID 103866566
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 82878959) is 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCNC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is WAMBMPUJQXLXNR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-9-5-7(1-2-10(9)13)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m1/s1.
What are the key properties of 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide?
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 242.68 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 82878959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).