(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide

C15H13BrClNO2 — CID 7818276

IUPAC(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-10(20-14-7-2-4-11(16)8-14)15(19)18-13-6-3-5-12(17)9-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyPRMFPLOHJDTTBE-JTQLQIEISA-N
MW354.63 g/mol
LogP4.51
Rot. Bonds4

About (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide

(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide (PubChem CID 7818276) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
PubChem CID7818276
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-10(20-14-7-2-4-11(16)8-14)15(19)18-13-6-3-5-12(17)9-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyPRMFPLOHJDTTBE-JTQLQIEISA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1177364
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
(2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide
CID 1177889
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647264
(2R)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647263

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide?
The IUPAC name of (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide (CID 7818276) is (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide is C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide?
The InChIKey is PRMFPLOHJDTTBE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-10(20-14-7-2-4-11(16)8-14)15(19)18-13-6-3-5-12(17)9-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide?
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide has a molecular weight of 354.63 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 7818276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).