N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide

C20H19N3O2 — CID 70681357

IUPACN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H19N3O2/c21-13-18-10-5-11-23(18)19(24)14-22-20(25)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,14H2,(H,22,25)/t18-/m0/s1
InChIKeyFJWRWAFBWCAAQZ-SFHVURJKSA-N
MW333.39 g/mol
LogP2.60
Rot. Bonds4

About N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide (PubChem CID 70681357) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide
PubChem CID70681357
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H19N3O2/c21-13-18-10-5-11-23(18)19(24)14-22-20(25)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,14H2,(H,22,25)/t18-/m0/s1
InChIKeyFJWRWAFBWCAAQZ-SFHVURJKSA-N
XLogP2.60
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide?
The IUPAC name of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide (CID 70681357) is N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide.
What is the SMILES notation for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide?
The canonical SMILES for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide is N#C[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide?
The InChIKey is FJWRWAFBWCAAQZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-13-18-10-5-11-23(18)19(24)14-22-20(25)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,14H2,(H,22,25)/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide?
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylbenzamide is sourced from PubChem (CID 70681357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).