(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide

C16H15BrClNO2 — CID 2565130

IUPAC(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-10-3-6-13(7-4-10)19-16(20)11(2)21-15-8-5-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyAKOKYKGXBGYKDG-LLVKDONJSA-N
MW368.66 g/mol
LogP4.82
Rot. Bonds4

About (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide

(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide (PubChem CID 2565130) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
PubChem CID2565130
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-10-3-6-13(7-4-10)19-16(20)11(2)21-15-8-5-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyAKOKYKGXBGYKDG-LLVKDONJSA-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

4-[[(2R)-2-(4-bromo-2-chlorophenoxy)propanoyl]amino]benzamide
CID 7809676
(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 2225511
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
(2R)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-3-ylpropanamide
CID 42561654
(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 1019999
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide (CID 2565130) is (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide?
The InChIKey is AKOKYKGXBGYKDG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10-3-6-13(7-4-10)19-16(20)11(2)21-15-8-5-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide?
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)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 (2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 2565130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).