2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide

C23H22N2O2 — CID 11610150

IUPAC2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1Oc1ccccc1)N(c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C23H22N2O2/c26-23(25(19-15-16-24-17-19)18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20-11-5-2-6-12-20/h1-14,19,24H,15-17H2/t19-/m0/s1
InChIKeyOOCIRVSPZDCFHT-IBGZPJMESA-N
MW358.44 g/mol
LogP4.49
Rot. Bonds5

About 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide

2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11610150) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11610150
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1Oc1ccccc1)N(c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C23H22N2O2/c26-23(25(19-15-16-24-17-19)18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20-11-5-2-6-12-20/h1-14,19,24H,15-17H2/t19-/m0/s1
InChIKeyOOCIRVSPZDCFHT-IBGZPJMESA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 72983499
2-phenoxy-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 69076306
N-(2,2-difluoroethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 87679944
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11709831
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 119531895
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
but-2-enedioic acid;(3S)-N-(2-methylpropyl)-N-[(2-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 69059391
3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 68915779
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11610150) is 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(c1ccccc1Oc1ccccc1)N(c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is OOCIRVSPZDCFHT-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22N2O2/c26-23(25(19-15-16-24-17-19)18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20-11-5-2-6-12-20/h1-14,19,24H,15-17H2/t19-/m0/s1.
What are the key properties of 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11610150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).