(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide

C15H12BrClFNO2 — CID 7959134

IUPAC(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyRQYPKPAIKRWPMI-VIFPVBQESA-N
MW372.62 g/mol
LogP4.65
Rot. Bonds4

About (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide

(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide (PubChem CID 7959134) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
PubChem CID7959134
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyRQYPKPAIKRWPMI-VIFPVBQESA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 95079877
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 2204043
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
CID 8956661
N-(2-amino-4-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 62227599

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide (CID 7959134) is (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide?
The InChIKey is RQYPKPAIKRWPMI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide?
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide has a molecular weight of 372.62 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 7959134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).