(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide

C15H12BrClFNO2 — CID 7707079

IUPAC(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H12BrClFNO2/c1-9(21-14-5-3-2-4-11(14)16)15(20)19-13-7-6-10(18)8-12(13)17/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyIZQYQPRDLQCGOZ-VIFPVBQESA-N
MW372.62 g/mol
LogP4.65
Rot. Bonds4

About (2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide

(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 7707079) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is (2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID7707079
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H12BrClFNO2/c1-9(21-14-5-3-2-4-11(14)16)15(20)19-13-7-6-10(18)8-12(13)17/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyIZQYQPRDLQCGOZ-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

(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762785
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 7467684
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 8728791
(2R)-2-(2-chloro-4-fluorophenoxy)-N-naphthalen-1-ylpropanamide
CID 2537239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide (CID 7707079) is (2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide is C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is IZQYQPRDLQCGOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-9(21-14-5-3-2-4-11(14)16)15(20)19-13-7-6-10(18)8-12(13)17/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)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)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 7707079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).