N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

C15H12F3NO2 — CID 38524721

IUPACN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1F
InChIInChI=1S/C15H12F3NO2/c16-9-5-6-10(13(18)7-9)14(20)8-19-15(21)11-3-1-2-4-12(11)17/h1-7,14,20H,8H2,(H,19,21)/t14-/m1/s1
InChIKeySMYMCFAEKARNHF-CQSZACIVSA-N
MW295.26 g/mol
LogP2.57
Rot. Bonds4

About N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (PubChem CID 38524721) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
PubChem CID38524721
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC NameN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1F
InChIInChI=1S/C15H12F3NO2/c16-9-5-6-10(13(18)7-9)14(20)8-19-15(21)11-3-1-2-4-12(11)17/h1-7,14,20H,8H2,(H,19,21)/t14-/m1/s1
InChIKeySMYMCFAEKARNHF-CQSZACIVSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 94800676
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 38525076
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 111452346
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 38524814
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The IUPAC name of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (CID 38524721) is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The canonical SMILES for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is O=C(NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1F.
What is the InChIKey of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The InChIKey is SMYMCFAEKARNHF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-9-5-6-10(13(18)7-9)14(20)8-19-15(21)11-3-1-2-4-12(11)17/h1-7,14,20H,8H2,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide has a molecular weight of 295.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is sourced from PubChem (CID 38524721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).