3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

C18H17BrF3NO2 — CID 99873935

IUPAC3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17BrF3NO2/c19-15-4-2-1-3-12(15)7-10-17(25)23-11-16(24)13-5-8-14(9-6-13)18(20,21)22/h1-6,8-9,16,24H,7,10-11H2,(H,23,25)/t16-/m1/s1
InChIKeyDHKQKTGDRKNJON-MRXNPFEDSA-N
MW416.24 g/mol
LogP4.25
Rot. Bonds6

About 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 99873935) has the molecular formula C18H17BrF3NO2 and a molecular weight of 416.24 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID99873935
Molecular FormulaC18H17BrF3NO2
Molecular Weight416.24 g/mol
Exact Mass415.04
IUPAC Name3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17BrF3NO2/c19-15-4-2-1-3-12(15)7-10-17(25)23-11-16(24)13-5-8-14(9-6-13)18(20,21)22/h1-6,8-9,16,24H,7,10-11H2,(H,23,25)/t16-/m1/s1
InChIKeyDHKQKTGDRKNJON-MRXNPFEDSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110899131
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide
CID 121179845
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 90534701
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391345
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (CID 99873935) is 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is O=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is DHKQKTGDRKNJON-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17BrF3NO2/c19-15-4-2-1-3-12(15)7-10-17(25)23-11-16(24)13-5-8-14(9-6-13)18(20,21)22/h1-6,8-9,16,24H,7,10-11H2,(H,23,25)/t16-/m1/s1.
What are the key properties of 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 416.24 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 99873935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).