(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide

C15H12BrCl2NO2 — CID 7751387

IUPAC(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2NO2/c1-9(21-12-6-7-13(17)14(18)8-12)15(20)19-11-4-2-10(16)3-5-11/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyZLEFXIHSJVJFHW-VIFPVBQESA-N
MW389.08 g/mol
LogP5.16
Rot. Bonds4

About (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide

(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide (PubChem CID 7751387) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
PubChem CID7751387
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC Name(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2NO2/c1-9(21-12-6-7-13(17)14(18)8-12)15(20)19-11-4-2-10(16)3-5-11/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyZLEFXIHSJVJFHW-VIFPVBQESA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.08
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 7900423
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide (CID 7751387) is (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide is C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide?
The InChIKey is ZLEFXIHSJVJFHW-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-9(21-12-6-7-13(17)14(18)8-12)15(20)19-11-4-2-10(16)3-5-11/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide?
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide has a molecular weight of 389.08 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 7751387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).