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

C11H13ClN2O — CID 79685775

IUPAC4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)11(15)14-10-5-6-13-7-10/h1-4,10,13H,5-7H2,(H,14,15)/t10-/m1/s1
InChIKeyFVTMBSSAPYNAPK-SNVBAGLBSA-N
MW224.69 g/mol
LogP1.43
Rot. Bonds2

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

4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 79685775) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID79685775
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)11(15)14-10-5-6-13-7-10/h1-4,10,13H,5-7H2,(H,14,15)/t10-/m1/s1
InChIKeyFVTMBSSAPYNAPK-SNVBAGLBSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-(5-chloro-2-pyridinyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154904834
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 79685775) is 4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCNC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is FVTMBSSAPYNAPK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)11(15)14-10-5-6-13-7-10/h1-4,10,13H,5-7H2,(H,14,15)/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide?
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 224.69 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79685775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).