(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide

C17H17BrFNO2 — CID 95153820

IUPAC(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)NCCc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C17H17BrFNO2/c1-22-16(12-5-3-2-4-6-12)17(21)20-10-9-13-11-14(18)7-8-15(13)19/h2-8,11,16H,9-10H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyHXCIZOYVGGFRQY-MRXNPFEDSA-N
MW366.23 g/mol
LogP3.63
Rot. Bonds6

About (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide

(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide (PubChem CID 95153820) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
PubChem CID95153820
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)NCCc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C17H17BrFNO2/c1-22-16(12-5-3-2-4-6-12)17(21)20-10-9-13-11-14(18)7-8-15(13)19/h2-8,11,16H,9-10H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyHXCIZOYVGGFRQY-MRXNPFEDSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745605
N-(4-bromo-2-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956612
3-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189514
ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
CID 110792453
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
CID 119038942
N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 60794285
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60589869
N-(3,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956436
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide (CID 95153820) is (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)NCCc1cc(Br)ccc1F)c1ccccc1.
What is the InChIKey of (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide?
The InChIKey is HXCIZOYVGGFRQY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-22-16(12-5-3-2-4-6-12)17(21)20-10-9-13-11-14(18)7-8-15(13)19/h2-8,11,16H,9-10H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide?
(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide has a molecular weight of 366.23 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 95153820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).