3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide

C11H12ClFN2O — CID 81265233

IUPAC3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFN2O/c12-9-3-1-2-8(10(9)13)11(16)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m0/s1
InChIKeyVNUUWGWEZOEJDO-ZETCQYMHSA-N
MW242.68 g/mol
LogP1.57
Rot. Bonds2

About 3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide

3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 81265233) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID81265233
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFN2O/c12-9-3-1-2-8(10(9)13)11(16)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m0/s1
InChIKeyVNUUWGWEZOEJDO-ZETCQYMHSA-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

2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 81265233) is 3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCNC1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is VNUUWGWEZOEJDO-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-9-3-1-2-8(10(9)13)11(16)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m0/s1.
What are the key properties of 3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide?
3-chloro-2-fluoro-N-[(3S)-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-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 81265233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).