(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide

C16H15BrFNO3 — CID 95079877

IUPAC(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H15BrFNO3/c1-10(22-13-5-3-4-12(9-13)21-2)16(20)19-15-7-6-11(17)8-14(15)18/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyMCCGPJDRJTWJRQ-JTQLQIEISA-N
MW368.20 g/mol
LogP4.00
Rot. Bonds5

About (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide

(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide (PubChem CID 95079877) has the molecular formula C16H15BrFNO3 and a molecular weight of 368.20 g/mol. Its IUPAC name is (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
PubChem CID95079877
Molecular FormulaC16H15BrFNO3
Molecular Weight368.20 g/mol
Exact Mass367.02
IUPAC Name(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H15BrFNO3/c1-10(22-13-5-3-4-12(9-13)21-2)16(20)19-15-7-6-11(17)8-14(15)18/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyMCCGPJDRJTWJRQ-JTQLQIEISA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
CID 8956661
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2R)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
CID 92673477
(2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
CID 92673476
N-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203915
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 53267481
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide (CID 95079877) is (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide is COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide?
The InChIKey is MCCGPJDRJTWJRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15BrFNO3/c1-10(22-13-5-3-4-12(9-13)21-2)16(20)19-15-7-6-11(17)8-14(15)18/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide?
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide has a molecular weight of 368.20 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 95079877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).