N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide

C18H20FNO2 — CID 97428313

IUPACN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide
SMILESCO[C@@](C)(CNC(=O)c1ccccc1C)c1ccccc1F
InChIInChI=1S/C18H20FNO2/c1-13-8-4-5-9-14(13)17(21)20-12-18(2,22-3)15-10-6-7-11-16(15)19/h4-11H,12H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyFQQOZRYPADZNBL-SFHVURJKSA-N
MW301.36 g/mol
LogP3.43
Rot. Bonds5

About N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide

N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide (PubChem CID 97428313) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide
PubChem CID97428313
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide
SMILESCO[C@@](C)(CNC(=O)c1ccccc1C)c1ccccc1F
InChIInChI=1S/C18H20FNO2/c1-13-8-4-5-9-14(13)17(21)20-12-18(2,22-3)15-10-6-7-11-16(15)19/h4-11H,12H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyFQQOZRYPADZNBL-SFHVURJKSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,4-dimethylbenzoate
CID 4802847
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 2099293
Methyl 4-[[2-[(4-phenylbenzoyl)amino]acetyl]oxymethyl]benzoate
CID 2364636
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]methyl]phenyl]benzoate
CID 44455074
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-2-hydroxy-2,3-dimethylbutanoyl]amino]methyl]phenyl]benzoate
CID 44455107
methyl 2-fluoro-6-[3-fluoro-4-[[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]methyl]phenyl]benzoate
CID 44455108
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino]methyl]phenyl]benzoate
CID 44455145
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-3,3,3-trifluoro-2-hydroxypropanoyl]amino]methyl]phenyl]benzoate
CID 44455147
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-2-hydroxy-3-methylbutanoyl]amino]methyl]phenyl]benzoate
CID 44455148

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide (CID 97428313) is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide is CO[C@@](C)(CNC(=O)c1ccccc1C)c1ccccc1F.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide?
The InChIKey is FQQOZRYPADZNBL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13-8-4-5-9-14(13)17(21)20-12-18(2,22-3)15-10-6-7-11-16(15)19/h4-11H,12H2,1-3H3,(H,20,21)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide?
N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide has a molecular weight of 301.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzamide is sourced from PubChem (CID 97428313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).