(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide

C19H22FNO3 — CID 28958208

IUPAC(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-4-23-17-9-5-15(6-10-17)13(2)21-19(22)14(3)24-18-11-7-16(20)8-12-18/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyQDNQJBUFYSLBIG-ZIAGYGMSSA-N
MW331.39 g/mol
LogP3.87
Rot. Bonds7

About (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide

(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 28958208) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
PubChem CID28958208
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-4-23-17-9-5-15(6-10-17)13(2)21-19(22)14(3)24-18-11-7-16(20)8-12-18/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyQDNQJBUFYSLBIG-ZIAGYGMSSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 46770805
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 38001892
ethyl 4-[(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]oxybenzoate
CID 7471646
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 92538260
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8580031
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 46763869
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 99132186
(2S)-2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579899
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579894
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide (CID 28958208) is (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide is CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is QDNQJBUFYSLBIG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-4-23-17-9-5-15(6-10-17)13(2)21-19(22)14(3)24-18-11-7-16(20)8-12-18/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide?
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 28958208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).