2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide

C19H22BrNO2 — CID 46633932

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(C)C)c(Br)c1
InChIInChI=1S/C19H22BrNO2/c1-12(2)15-7-5-6-8-17(15)21-19(22)14(4)23-18-10-9-13(3)11-16(18)20/h5-12,14H,1-4H3,(H,21,22)
InChIKeyUZURLZQBKFWAJP-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.29
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 46633932) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID46633932
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(C)C)c(Br)c1
InChIInChI=1S/C19H22BrNO2/c1-12(2)15-7-5-6-8-17(15)21-19(22)14(4)23-18-10-9-13(3)11-16(18)20/h5-12,14H,1-4H3,(H,21,22)
InChIKeyUZURLZQBKFWAJP-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633931
2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide
CID 55778334
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
CID 40736855
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 56581617
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide (CID 46633932) is 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2C(C)C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is UZURLZQBKFWAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-12(2)15-7-5-6-8-17(15)21-19(22)14(4)23-18-10-9-13(3)11-16(18)20/h5-12,14H,1-4H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 376.29 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 46633932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).