(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide

C19H22BrNO2 — CID 94843709

IUPAC(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C19H22BrNO2/c1-12-5-10-18(13(2)11-12)14(3)21-19(22)15(4)23-17-8-6-16(20)7-9-17/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyZKLHBEBVNJFWNL-HUUCEWRRSA-N
MW376.29 g/mol
LogP4.71
Rot. Bonds5

About (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide

(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide (PubChem CID 94843709) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
PubChem CID94843709
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C19H22BrNO2/c1-12-5-10-18(13(2)11-12)14(3)21-19(22)15(4)23-17-8-6-16(20)7-9-17/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyZKLHBEBVNJFWNL-HUUCEWRRSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843723
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 17327709
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
2-(3,4-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]propanamide
CID 132652018
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 133220210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide (CID 94843709) is (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide is Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(C)c1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The InChIKey is ZKLHBEBVNJFWNL-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-12-5-10-18(13(2)11-12)14(3)21-19(22)15(4)23-17-8-6-16(20)7-9-17/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide has a molecular weight of 376.29 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 94843709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).