N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide

C12H16N2O — CID 66518494

IUPACN-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H]2CCCN2)c1
InChIInChI=1S/C12H16N2O/c1-9(15)14-11-5-2-4-10(8-11)12-6-3-7-13-12/h2,4-5,8,12-13H,3,6-7H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyRPFLVYPXWSFWID-LBPRGKRZSA-N
MW204.27 g/mol
LogP2.07
Rot. Bonds2

About N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide

N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide (PubChem CID 66518494) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
PubChem CID66518494
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H]2CCCN2)c1
InChIInChI=1S/C12H16N2O/c1-9(15)14-11-5-2-4-10(8-11)12-6-3-7-13-12/h2,4-5,8,12-13H,3,6-7H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyRPFLVYPXWSFWID-LBPRGKRZSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
CID 154574804
[3-[(2R)-piperidin-2-yl]phenyl] acetate
CID 131481230
tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
CID 130632560
1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine
CID 118900458
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
CID 154574752
acetic acid;(3-piperidin-2-ylphenyl) acetate
CID 162323742
methyl 3-piperidin-2-ylbenzoate;hydrochloride
CID 91798908
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N,N-dimethyl-3-pyrrolidin-2-ylaniline
CID 3982054
N-[3-[1-(pyrrolidin-2-ylmethylamino)ethyl]phenyl]acetamide
CID 106636742

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide (CID 66518494) is N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H]2CCCN2)c1.
What is the InChIKey of N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide?
The InChIKey is RPFLVYPXWSFWID-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)14-11-5-2-4-10(8-11)12-6-3-7-13-12/h2,4-5,8,12-13H,3,6-7H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide?
N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide has a molecular weight of 204.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 66518494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).