N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide

C17H18FNO3 — CID 71982880

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C17H18FNO3/c1-22-11-12-6-2-3-7-13(12)17(21)19-10-16(20)14-8-4-5-9-15(14)18/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyBPZPZPPGMGLVNH-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide (PubChem CID 71982880) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide
PubChem CID71982880
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C17H18FNO3/c1-22-11-12-6-2-3-7-13(12)17(21)19-10-16(20)14-8-4-5-9-15(14)18/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyBPZPZPPGMGLVNH-UHFFFAOYSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tilisolol
CID 5474
2-[(4-Phenylbutan-2-yl)carbamoyl]benzoic acid
CID 3606549
N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
2-[({2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl}amino)methyl]benzoic acid
CID 23647919
2-{[(2-Hydroxy-2-phenylethyl)amino]carbonyl}benzoic acid
CID 2812763
N-benzyl-2-(hydroxymethyl)benzamide
CID 826787
2-{[(4-Fluorobenzyl)amino]carbonyl}benzoic acid
CID 3240677
N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 744627
(+/-)-4-(3-Tert-butylamino-2-hydroxypropoxy)-2-methyl-1(2H)-isoquinolinehydrochloride
CID 44155
Tilisolol Hydrochloride
CID 5284465
2-((3-(Cyclohex-3-en-1-ylmethoxy)-2-hydroxypropyl)carbamoyl)benzoic acid
CID 2914119
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]methyl]phenyl]benzoate
CID 44455074

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide (CID 71982880) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NCC(O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide?
The InChIKey is BPZPZPPGMGLVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-22-11-12-6-2-3-7-13(12)17(21)19-10-16(20)14-8-4-5-9-15(14)18/h2-9,16,20H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide has a molecular weight of 303.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 71982880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).