2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

C12H16N2O — CID 69169822

IUPAC2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1C[C@@H]1CCCN1
InChIInChI=1S/C12H16N2O/c13-12(15)11-6-2-1-4-9(11)8-10-5-3-7-14-10/h1-2,4,6,10,14H,3,5,7-8H2,(H2,13,15)/t10-/m0/s1
InChIKeyKWOHTPNMBYTHBS-JTQLQIEISA-N
MW204.27 g/mol
LogP1.08
Rot. Bonds3

About 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide (PubChem CID 69169822) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
PubChem CID69169822
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1C[C@@H]1CCCN1
InChIInChI=1S/C12H16N2O/c13-12(15)11-6-2-1-4-9(11)8-10-5-3-7-14-10/h1-2,4,6,10,14H,3,5,7-8H2,(H2,13,15)/t10-/m0/s1
InChIKeyKWOHTPNMBYTHBS-JTQLQIEISA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106615202
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-(piperidin-2-ylmethyl)aniline
CID 84662844
2-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62210500
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
2-methyl-3-[[(2S)-pyrrolidin-2-yl]methylcarbamoylamino]benzamide
CID 118779764
2-[(1,1-dioxothietan-3-yl)methyl]benzamide
CID 141441544
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide (CID 69169822) is 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide is NC(=O)c1ccccc1C[C@@H]1CCCN1.
What is the InChIKey of 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is KWOHTPNMBYTHBS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O/c13-12(15)11-6-2-1-4-9(11)8-10-5-3-7-14-10/h1-2,4,6,10,14H,3,5,7-8H2,(H2,13,15)/t10-/m0/s1.
What are the key properties of 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 204.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 69169822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).