N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide

C18H20N2O3 — CID 120945515

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
SMILESO=C(NCC1CNCC1O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H20N2O3/c21-16-12-19-10-13(16)11-20-18(22)15-8-4-5-9-17(15)23-14-6-2-1-3-7-14/h1-9,13,16,19,21H,10-12H2,(H,20,22)
InChIKeyCADDALXEICASJP-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.79
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide (PubChem CID 120945515) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
PubChem CID120945515
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
SMILESO=C(NCC1CNCC1O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C18H20N2O3/c21-16-12-19-10-13(16)11-20-18(22)15-8-4-5-9-17(15)23-14-6-2-1-3-7-14/h1-9,13,16,19,21H,10-12H2,(H,20,22)
InChIKeyCADDALXEICASJP-UHFFFAOYSA-N
XLogP1.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
2-chloro-6-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948185
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
CID 120945808
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide
CID 126830430
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 91772754
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945188
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
CID 120947793

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide (CID 120945515) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide is O=C(NCC1CNCC1O)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide?
The InChIKey is CADDALXEICASJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-16-12-19-10-13(16)11-20-18(22)15-8-4-5-9-17(15)23-14-6-2-1-3-7-14/h1-9,13,16,19,21H,10-12H2,(H,20,22).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide is sourced from PubChem (CID 120945515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).