(2S)-2-(2-bromophenoxy)-N-phenylpropanamide

C15H14BrNO2 — CID 7394881

IUPAC(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
SMILESC[C@H](Oc1ccccc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-11(19-14-10-6-5-9-13(14)16)15(18)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/t11-/m0/s1
InChIKeyAAJCPWWHBNGUCF-NSHDSACASA-N
MW320.19 g/mol
LogP3.86
Rot. Bonds4

About (2S)-2-(2-bromophenoxy)-N-phenylpropanamide

(2S)-2-(2-bromophenoxy)-N-phenylpropanamide (PubChem CID 7394881) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is (2S)-2-(2-bromophenoxy)-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
PubChem CID7394881
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
SMILESC[C@H](Oc1ccccc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-11(19-14-10-6-5-9-13(14)16)15(18)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/t11-/m0/s1
InChIKeyAAJCPWWHBNGUCF-NSHDSACASA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
4-[2-(2-bromophenoxy)propanoylamino]benzamide
CID 84603766
3-[2-(2-bromophenoxy)propanoylamino]benzoic acid
CID 17341904
2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 6472883
(2R)-2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 40639361
2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 84603771
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 84603772
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119170475
N-(4-anilinophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943129
(2R)-2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119368498

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenoxy)-N-phenylpropanamide?
The IUPAC name of (2S)-2-(2-bromophenoxy)-N-phenylpropanamide (CID 7394881) is (2S)-2-(2-bromophenoxy)-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(2-bromophenoxy)-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(2-bromophenoxy)-N-phenylpropanamide is C[C@H](Oc1ccccc1Br)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-(2-bromophenoxy)-N-phenylpropanamide?
The InChIKey is AAJCPWWHBNGUCF-NSHDSACASA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-11(19-14-10-6-5-9-13(14)16)15(18)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-bromophenoxy)-N-phenylpropanamide?
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide has a molecular weight of 320.19 g/mol, XLogP of 3.86, 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-phenylpropanamide is sourced from PubChem (CID 7394881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).