2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C18H21ClN2O2 — CID 119451945

IUPAC2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccccc1COc1ccccc1
InChIInChI=1S/C18H20N2O2.ClH/c21-18(20-15-10-11-19-12-15)17-9-5-4-6-14(17)13-22-16-7-2-1-3-8-16;/h1-9,15,19H,10-13H2,(H,20,21);1H
InChIKeyVUFZMXCTNOWYNA-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.78
Rot. Bonds5

About 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119451945) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119451945
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccccc1COc1ccccc1
InChIInChI=1S/C18H20N2O2.ClH/c21-18(20-15-10-11-19-12-15)17-9-5-4-6-14(17)13-22-16-7-2-1-3-8-16;/h1-9,15,19H,10-13H2,(H,20,21);1H
InChIKeyVUFZMXCTNOWYNA-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453556
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-(phenoxymethyl)benzamide
CID 134037647
2-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 35945918
3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449633
2-[(2-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428088
2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450691
N-[1-[2-(phenoxymethyl)benzoyl]piperidin-4-yl]benzamide
CID 18131786
2-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 139966518
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453622
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119451945) is 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccccc1COc1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is VUFZMXCTNOWYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c21-18(20-15-10-11-19-12-15)17-9-5-4-6-14(17)13-22-16-7-2-1-3-8-16;/h1-9,15,19H,10-13H2,(H,20,21);1H.
What are the key properties of 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119451945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).