3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride

C19H22ClN3O3 — CID 119779671

IUPAC3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(Oc2ccc(NC(=O)CC3CCCN3)cc2)c1
InChIInChI=1S/C19H21N3O3.ClH/c20-19(24)13-3-1-5-17(11-13)25-16-8-6-14(7-9-16)22-18(23)12-15-4-2-10-21-15;/h1,3,5-9,11,15,21H,2,4,10,12H2,(H2,20,24)(H,22,23);1H
InChIKeyMTOFNLWFOQRLBC-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.08
Rot. Bonds6

About 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride

3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride (PubChem CID 119779671) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride
PubChem CID119779671
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(Oc2ccc(NC(=O)CC3CCCN3)cc2)c1
InChIInChI=1S/C19H21N3O3.ClH/c20-19(24)13-3-1-5-17(11-13)25-16-8-6-14(7-9-16)22-18(23)12-15-4-2-10-21-15;/h1,3,5-9,11,15,21H,2,4,10,12H2,(H2,20,24)(H,22,23);1H
InChIKeyMTOFNLWFOQRLBC-UHFFFAOYSA-N
XLogP3.08
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
3-[4-(3-piperidin-4-ylbutanoylamino)phenoxy]benzamide;hydrochloride
CID 119779665
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
3-[4-(carbamoylamino)phenoxy]benzamide
CID 142646919
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride?
The IUPAC name of 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride (CID 119779671) is 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride.
What is the SMILES notation for 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride?
The canonical SMILES for 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride is Cl.NC(=O)c1cccc(Oc2ccc(NC(=O)CC3CCCN3)cc2)c1.
What is the InChIKey of 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride?
The InChIKey is MTOFNLWFOQRLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.ClH/c20-19(24)13-3-1-5-17(11-13)25-16-8-6-14(7-9-16)22-18(23)12-15-4-2-10-21-15;/h1,3,5-9,11,15,21H,2,4,10,12H2,(H2,20,24)(H,22,23);1H.
What are the key properties of 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride?
3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride is sourced from PubChem (CID 119779671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).