2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C17H15BrF3NO3 — CID 49089872

IUPAC2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15BrF3NO3/c18-13-5-1-11(2-6-13)9-16(24)22-10-15(23)12-3-7-14(8-4-12)25-17(19,20)21/h1-8,15,23H,9-10H2,(H,22,24)
InChIKeyKZFFEQVKIGTVDR-UHFFFAOYSA-N
MW418.21 g/mol
LogP3.74
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 49089872) has the molecular formula C17H15BrF3NO3 and a molecular weight of 418.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID49089872
Molecular FormulaC17H15BrF3NO3
Molecular Weight418.21 g/mol
Exact Mass417.02
IUPAC Name2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H15BrF3NO3/c18-13-5-1-11(2-6-13)9-16(24)22-10-15(23)12-3-7-14(8-4-12)25-17(19,20)21/h1-8,15,23H,9-10H2,(H,22,24)
InChIKeyKZFFEQVKIGTVDR-UHFFFAOYSA-N
XLogP3.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.21
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 49090041
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 49089556
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 47086910
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103769732
N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 99853223
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
1-[(2S)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94744564
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide
CID 49089739
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 49089493
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 47040388

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 49089872) is 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is O=C(Cc1ccc(Br)cc1)NCC(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is KZFFEQVKIGTVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3NO3/c18-13-5-1-11(2-6-13)9-16(24)22-10-15(23)12-3-7-14(8-4-12)25-17(19,20)21/h1-8,15,23H,9-10H2,(H,22,24).
What are the key properties of 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 418.21 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 49089872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).