2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide

C22H20ClN3O2 — CID 166681285

IUPAC2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide
SMILESNC(=O)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1
InChIInChI=1S/C22H20ClN3O2/c23-19-7-4-11-25-22(19)28-17-10-12-26(14-17)20-9-8-16(13-18(20)21(24)27)15-5-2-1-3-6-15/h1-9,11,13,17H,10,12,14H2,(H2,24,27)/t17-/m0/s1
InChIKeyRCKWBLVXVIEMDB-KRWDZBQOSA-N
MW393.87 g/mol
LogP4.16
Rot. Bonds5

About 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide

2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide (PubChem CID 166681285) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide.

Molecular Properties

Compound Name2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide
PubChem CID166681285
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide
SMILESNC(=O)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1
InChIInChI=1S/C22H20ClN3O2/c23-19-7-4-11-25-22(19)28-17-10-12-26(14-17)20-9-8-16(13-18(20)21(24)27)15-5-2-1-3-6-15/h1-9,11,13,17H,10,12,14H2,(H2,24,27)/t17-/m0/s1
InChIKeyRCKWBLVXVIEMDB-KRWDZBQOSA-N
XLogP4.16
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide?
The IUPAC name of 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide (CID 166681285) is 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide.
What is the SMILES notation for 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide?
The canonical SMILES for 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide is NC(=O)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.
What is the InChIKey of 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide?
The InChIKey is RCKWBLVXVIEMDB-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-19-7-4-11-25-22(19)28-17-10-12-26(14-17)20-9-8-16(13-18(20)21(24)27)15-5-2-1-3-6-15/h1-9,11,13,17H,10,12,14H2,(H2,24,27)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide?
2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide has a molecular weight of 393.87 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylbenzamide is sourced from PubChem (CID 166681285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).