N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide

C19H18N2O2 — CID 29139340

IUPACN-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1ccccc1-n1cccc1
InChIInChI=1S/C19H18N2O2/c22-18(15-8-2-1-3-9-15)14-20-19(23)16-10-4-5-11-17(16)21-12-6-7-13-21/h1-13,18,22H,14H2,(H,20,23)/t18-/m1/s1
InChIKeyFVPLQKVGXIVZKK-GOSISDBHSA-N
MW306.37 g/mol
LogP2.94
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide

N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide (PubChem CID 29139340) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide
PubChem CID29139340
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1ccccc1-n1cccc1
InChIInChI=1S/C19H18N2O2/c22-18(15-8-2-1-3-9-15)14-20-19(23)16-10-4-5-11-17(16)21-12-6-7-13-21/h1-13,18,22H,14H2,(H,20,23)/t18-/m1/s1
InChIKeyFVPLQKVGXIVZKK-GOSISDBHSA-N
XLogP2.94
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
CID 7189543
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 115930153
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
CID 110887488
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 28934807

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide (CID 29139340) is N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide is O=C(NC[C@@H](O)c1ccccc1)c1ccccc1-n1cccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide?
The InChIKey is FVPLQKVGXIVZKK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18(15-8-2-1-3-9-15)14-20-19(23)16-10-4-5-11-17(16)21-12-6-7-13-21/h1-13,18,22H,14H2,(H,20,23)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide?
N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide has a molecular weight of 306.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 29139340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).