2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide

C21H21N3O — CID 94695007

IUPAC2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C21H21N3O/c22-13-15-5-1-2-6-18(15)19-7-3-4-8-20(19)21(25)23-16-11-12-24(14-16)17-9-10-17/h1-8,16-17H,9-12,14H2,(H,23,25)/t16-/m0/s1
InChIKeyYJFHHXJMDVMDJL-INIZCTEOSA-N
MW331.42 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide

2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide (PubChem CID 94695007) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide
PubChem CID94695007
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C21H21N3O/c22-13-15-5-1-2-6-18(15)19-7-3-4-8-20(19)21(25)23-16-11-12-24(14-16)17-9-10-17/h1-8,16-17H,9-12,14H2,(H,23,25)/t16-/m0/s1
InChIKeyYJFHHXJMDVMDJL-INIZCTEOSA-N
XLogP3.19
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide (CID 94695007) is 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide is N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide?
The InChIKey is YJFHHXJMDVMDJL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N3O/c22-13-15-5-1-2-6-18(15)19-7-3-4-8-20(19)21(25)23-16-11-12-24(14-16)17-9-10-17/h1-8,16-17H,9-12,14H2,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide?
2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 94695007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).