4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide

C13H18N2O — CID 79689710

IUPAC4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCc1ccc(C(=O)N[C@H]2CCNC2)cc1
InChIInChI=1S/C13H18N2O/c1-2-10-3-5-11(6-4-10)13(16)15-12-7-8-14-9-12/h3-6,12,14H,2,7-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyIRHNGEFDVRHXTK-LBPRGKRZSA-N
MW218.30 g/mol
LogP1.34
Rot. Bonds3

About 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide

4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 79689710) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID79689710
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCc1ccc(C(=O)N[C@H]2CCNC2)cc1
InChIInChI=1S/C13H18N2O/c1-2-10-3-5-11(6-4-10)13(16)15-12-7-8-14-9-12/h3-6,12,14H,2,7-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyIRHNGEFDVRHXTK-LBPRGKRZSA-N
XLogP1.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 162755757
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 126445059
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68738531
4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-benzylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 119453539

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 79689710) is 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide is CCc1ccc(C(=O)N[C@H]2CCNC2)cc1.
What is the InChIKey of 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is IRHNGEFDVRHXTK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-3-5-11(6-4-10)13(16)15-12-7-8-14-9-12/h3-6,12,14H,2,7-9H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79689710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).