(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

C19H22FNO2 — CID 39710056

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1C
InChIInChI=1S/C19H22FNO2/c1-13-5-4-6-18(14(13)2)23-15(3)19(22)21-12-11-16-7-9-17(20)10-8-16/h4-10,15H,11-12H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyGOYQRSJXOXLIRX-OAHLLOKOSA-N
MW315.39 g/mol
LogP3.57
Rot. Bonds6

About (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide

(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 39710056) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID39710056
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1C
InChIInChI=1S/C19H22FNO2/c1-13-5-4-6-18(14(13)2)23-15(3)19(22)21-12-11-16-7-9-17(20)10-8-16/h4-10,15H,11-12H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyGOYQRSJXOXLIRX-OAHLLOKOSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7982035
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8709012
1-[(2,3-dimethylphenoxy)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108878491
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
CID 112786440
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43876130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 39710056) is (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is Cc1cccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1C.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is GOYQRSJXOXLIRX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13-5-4-6-18(14(13)2)23-15(3)19(22)21-12-11-16-7-9-17(20)10-8-16/h4-10,15H,11-12H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 315.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 39710056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).