(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

C17H17BrClNO3 — CID 7376119

IUPAC(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClNO3/c1-10-8-15(16(22-3)9-14(10)19)20-17(21)11(2)23-13-6-4-12(18)5-7-13/h4-9,11H,1-3H3,(H,20,21)/t11-/m1/s1
InChIKeyJMIGQAQGROKGBZ-LLVKDONJSA-N
MW398.68 g/mol
LogP4.83
Rot. Bonds5

About (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (PubChem CID 7376119) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
PubChem CID7376119
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC Name(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClNO3/c1-10-8-15(16(22-3)9-14(10)19)20-17(21)11(2)23-13-6-4-12(18)5-7-13/h4-9,11H,1-3H3,(H,20,21)/t11-/m1/s1
InChIKeyJMIGQAQGROKGBZ-LLVKDONJSA-N
XLogP4.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 2953802
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 42905073
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1300506
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 53267001
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
(2S)-2-(4-bromophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 7900423
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 53266468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (CID 7376119) is (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The InChIKey is JMIGQAQGROKGBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-10-8-15(16(22-3)9-14(10)19)20-17(21)11(2)23-13-6-4-12(18)5-7-13/h4-9,11H,1-3H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide has a molecular weight of 398.68 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 7376119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).