(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide

C16H12BrF4NO2 — CID 58960075

IUPAC(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
SMILESO=C(NCc1cc(Br)ccc1F)[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H12BrF4NO2/c17-12-6-7-13(18)10(8-12)9-22-14(23)15(24,16(19,20)21)11-4-2-1-3-5-11/h1-8,24H,9H2,(H,22,23)/t15-/m1/s1
InChIKeyUYYWXNVYNNWNPN-OAHLLOKOSA-N
MW406.17 g/mol
LogP3.65
Rot. Bonds4

About (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide

(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide (PubChem CID 58960075) has the molecular formula C16H12BrF4NO2 and a molecular weight of 406.17 g/mol. Its IUPAC name is (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
PubChem CID58960075
Molecular FormulaC16H12BrF4NO2
Molecular Weight406.17 g/mol
Exact Mass405.00
IUPAC Name(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
SMILESO=C(NCc1cc(Br)ccc1F)[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H12BrF4NO2/c17-12-6-7-13(18)10(8-12)9-22-14(23)15(24,16(19,20)21)11-4-2-1-3-5-11/h1-8,24H,9H2,(H,22,23)/t15-/m1/s1
InChIKeyUYYWXNVYNNWNPN-OAHLLOKOSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.17
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
CID 55137134
(2S)-N-[[3-bromo-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
CID 87848402
2-(4-chloro-3-fluorophenyl)-3,3,3-trifluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-hydroxypropanamide
CID 58960044
N-[(5-bromo-2-fluorophenyl)methyl]-3-phenylprop-2-ynamide
CID 61299084
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
CID 46485276
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide?
The IUPAC name of (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide (CID 58960075) is (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide?
The canonical SMILES for (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide is O=C(NCc1cc(Br)ccc1F)[C@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide?
The InChIKey is UYYWXNVYNNWNPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12BrF4NO2/c17-12-6-7-13(18)10(8-12)9-22-14(23)15(24,16(19,20)21)11-4-2-1-3-5-11/h1-8,24H,9H2,(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide?
(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide has a molecular weight of 406.17 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 58960075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).