N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

C20H17F2NO2S — CID 71854734

IUPACN-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESO=C(c1cc(F)cc(F)c1)N(Cc1ccccc1)CC(O)c1ccsc1
InChIInChI=1S/C20H17F2NO2S/c21-17-8-16(9-18(22)10-17)20(25)23(11-14-4-2-1-3-5-14)12-19(24)15-6-7-26-13-15/h1-10,13,19,24H,11-12H2
InChIKeyDPAXUKHTOVFHJV-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.40
Rot. Bonds6

About N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 71854734) has the molecular formula C20H17F2NO2S and a molecular weight of 373.42 g/mol. Its IUPAC name is N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
PubChem CID71854734
Molecular FormulaC20H17F2NO2S
Molecular Weight373.42 g/mol
Exact Mass373.09
IUPAC NameN-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESO=C(c1cc(F)cc(F)c1)N(Cc1ccccc1)CC(O)c1ccsc1
InChIInChI=1S/C20H17F2NO2S/c21-17-8-16(9-18(22)10-17)20(25)23(11-14-4-2-1-3-5-14)12-19(24)15-6-7-26-13-15/h1-10,13,19,24H,11-12H2
InChIKeyDPAXUKHTOVFHJV-UHFFFAOYSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide
CID 97340977
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide
CID 119821290
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
2-(3,5-difluorophenyl)-1-thiophen-3-ylethanol
CID 65099650
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119821295
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide
CID 119821292
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 96997911
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
CID 84583368
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (CID 71854734) is N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is O=C(c1cc(F)cc(F)c1)N(Cc1ccccc1)CC(O)c1ccsc1.
What is the InChIKey of N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is DPAXUKHTOVFHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2S/c21-17-8-16(9-18(22)10-17)20(25)23(11-14-4-2-1-3-5-14)12-19(24)15-6-7-26-13-15/h1-10,13,19,24H,11-12H2.
What are the key properties of N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 373.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 71854734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).