(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

C21H19BrFNO2 — CID 7786780

IUPAC(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C21H19BrFNO2/c1-13(15-4-8-19(23)9-5-15)24-21(25)14(2)26-20-10-6-16-11-18(22)7-3-17(16)12-20/h3-14H,1-2H3,(H,24,25)/t13-,14+/m1/s1
InChIKeyUPFLDMYVTWPXTD-KGLIPLIRSA-N
MW416.29 g/mol
LogP5.39
Rot. Bonds5

About (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 7786780) has the molecular formula C21H19BrFNO2 and a molecular weight of 416.29 g/mol. Its IUPAC name is (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
PubChem CID7786780
Molecular FormulaC21H19BrFNO2
Molecular Weight416.29 g/mol
Exact Mass415.06
IUPAC Name(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C21H19BrFNO2/c1-13(15-4-8-19(23)9-5-15)24-21(25)14(2)26-20-10-6-16-11-18(22)7-3-17(16)12-20/h3-14H,1-2H3,(H,24,25)/t13-,14+/m1/s1
InChIKeyUPFLDMYVTWPXTD-KGLIPLIRSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 92538260
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 46763869
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
(2S)-2-(4-bromo-2-chlorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8752841
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8580031
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 99132186
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(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
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (CID 7786780) is (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is C[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is UPFLDMYVTWPXTD-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H19BrFNO2/c1-13(15-4-8-19(23)9-5-15)24-21(25)14(2)26-20-10-6-16-11-18(22)7-3-17(16)12-20/h3-14H,1-2H3,(H,24,25)/t13-,14+/m1/s1.
What are the key properties of (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide?
(2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 416.29 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-bromonaphthalen-2-yl)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 7786780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).