N-(1-pyrrolidin-3-ylethyl)benzamide

C13H18N2O — CID 103977078

IUPACN-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1)C1CCNC1
InChIInChI=1S/C13H18N2O/c1-10(12-7-8-14-9-12)15-13(16)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)
InChIKeyQMABBQTZMFZWHC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.41
Rot. Bonds3

About N-(1-pyrrolidin-3-ylethyl)benzamide

N-(1-pyrrolidin-3-ylethyl)benzamide (PubChem CID 103977078) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(1-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-3-ylethyl)benzamide
PubChem CID103977078
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(1-pyrrolidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1)C1CCNC1
InChIInChI=1S/C13H18N2O/c1-10(12-7-8-14-9-12)15-13(16)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)
InChIKeyQMABBQTZMFZWHC-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977231
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977142
N-[2-oxo-2-(1-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119474128
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
N-(1-piperidin-4-ylethyl)naphthalene-2-carboxamide
CID 43523229
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of N-(1-pyrrolidin-3-ylethyl)benzamide (CID 103977078) is N-(1-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for N-(1-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for N-(1-pyrrolidin-3-ylethyl)benzamide is CC(NC(=O)c1ccccc1)C1CCNC1.
What is the InChIKey of N-(1-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is QMABBQTZMFZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(12-7-8-14-9-12)15-13(16)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,15,16).
What are the key properties of N-(1-pyrrolidin-3-ylethyl)benzamide?
N-(1-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 103977078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).