(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide

C16H15BrClNO2 — CID 92647264

IUPAC(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C16H15BrClNO2/c1-10-8-13(6-7-15(10)17)19-16(20)11(2)21-14-5-3-4-12(18)9-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyHUWGLYLITICWMP-NSHDSACASA-N
MW368.66 g/mol
LogP4.82
Rot. Bonds4

About (2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide

(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 92647264) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is (2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID92647264
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C16H15BrClNO2/c1-10-8-13(6-7-15(10)17)19-16(20)11(2)21-14-5-3-4-12(18)9-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyHUWGLYLITICWMP-NSHDSACASA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647263
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9173242
(2R)-N-(4-bromo-3-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 9172923
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide (CID 92647264) is (2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide is Cc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1Br.
What is the InChIKey of (2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is HUWGLYLITICWMP-NSHDSACASA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10-8-13(6-7-15(10)17)19-16(20)11(2)21-14-5-3-4-12(18)9-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide?
(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 368.66 g/mol, XLogP of 4.82, 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-3-methylphenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 92647264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).