N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H18F2N2O3 — CID 38513895

IUPACN-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18F2N2O3/c20-15-8-5-13(10-16(15)21)17(24)11-22-19(26)12-3-6-14(7-4-12)23-9-1-2-18(23)25/h3-8,10,17,24H,1-2,9,11H2,(H,22,26)/t17-/m1/s1
InChIKeyWSEQAPOWCAZBIV-QGZVFWFLSA-N
MW360.36 g/mol
LogP2.56
Rot. Bonds5

About N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 38513895) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID38513895
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC NameN-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18F2N2O3/c20-15-8-5-13(10-16(15)21)17(24)11-22-19(26)12-3-6-14(7-4-12)23-9-1-2-18(23)25/h3-8,10,17,24H,1-2,9,11H2,(H,22,26)/t17-/m1/s1
InChIKeyWSEQAPOWCAZBIV-QGZVFWFLSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 75512178
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8008909
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 49089783
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 55652815
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252803
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 38513895) is N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WSEQAPOWCAZBIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c20-15-8-5-13(10-16(15)21)17(24)11-22-19(26)12-3-6-14(7-4-12)23-9-1-2-18(23)25/h3-8,10,17,24H,1-2,9,11H2,(H,22,26)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 360.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 38513895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).