N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide

C16H18N2O2 — CID 25343764

IUPACN-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H18N2O2/c19-16(17-12-15-4-3-11-20-15)13-5-7-14(8-6-13)18-9-1-2-10-18/h1-2,5-10,15H,3-4,11-12H2,(H,17,19)/t15-/m1/s1
InChIKeyKCKUWECFTFDKHK-OAHLLOKOSA-N
MW270.33 g/mol
LogP2.39
Rot. Bonds4

About N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide

N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 25343764) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID25343764
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H18N2O2/c19-16(17-12-15-4-3-11-20-15)13-5-7-14(8-6-13)18-9-1-2-10-18/h1-2,5-10,15H,3-4,11-12H2,(H,17,19)/t15-/m1/s1
InChIKeyKCKUWECFTFDKHK-OAHLLOKOSA-N
XLogP2.39
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 28958348
N-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 98750642
N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 94821980
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 6552529
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide (CID 25343764) is N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide is O=C(NC[C@H]1CCCO1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is KCKUWECFTFDKHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(17-12-15-4-3-11-20-15)13-5-7-14(8-6-13)18-9-1-2-10-18/h1-2,5-10,15H,3-4,11-12H2,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide?
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 25343764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).