4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide

C18H20N2O — CID 51476383

IUPAC4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c19-18(21)16-10-8-14(9-11-16)13-20-12-4-7-17(20)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H2,19,21)/t17-/m1/s1
InChIKeyUEDYDXJGEXYKCY-QGZVFWFLSA-N
MW280.37 g/mol
LogP3.12
Rot. Bonds4

About 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide

4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide (PubChem CID 51476383) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
PubChem CID51476383
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c19-18(21)16-10-8-14(9-11-16)13-20-12-4-7-17(20)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H2,19,21)/t17-/m1/s1
InChIKeyUEDYDXJGEXYKCY-QGZVFWFLSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 17455487
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide
CID 55703679
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129480393
4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380488
4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
CID 56545893
3-(18F)fluoro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](18F)benzamide
CID 134819949
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
CID 175807196

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide (CID 51476383) is 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide?
The InChIKey is UEDYDXJGEXYKCY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O/c19-18(21)16-10-8-14(9-11-16)13-20-12-4-7-17(20)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2,(H2,19,21)/t17-/m1/s1.
What are the key properties of 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide?
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 51476383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).