2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide

C19H22BrNO2 — CID 19201978

IUPAC2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
SMILESCCCc1ccc(OCC(=O)NCCc2ccccc2)c(Br)c1
InChIInChI=1S/C19H22BrNO2/c1-2-6-16-9-10-18(17(20)13-16)23-14-19(22)21-12-11-15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,21,22)
InChIKeyKVVYUKIAEAJRSK-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.14
Rot. Bonds8

About 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide

2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide (PubChem CID 19201978) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
PubChem CID19201978
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
SMILESCCCc1ccc(OCC(=O)NCCc2ccccc2)c(Br)c1
InChIInChI=1S/C19H22BrNO2/c1-2-6-16-9-10-18(17(20)13-16)23-14-19(22)21-12-11-15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,21,22)
InChIKeyKVVYUKIAEAJRSK-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoic acid
CID 53264106
2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 19201692
2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929765
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
2-[4-bromo-2-(propylaminomethyl)phenoxy]-N-(2-phenylethyl)acetamide
CID 7027059
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
5-bromo-2-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoate
CID 7366889
2-(2-bromo-4-propylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202395
2-[5-bromo-2-methoxy-4-(propylaminomethyl)phenoxy]-N-(2-phenylethyl)acetamide
CID 7027057
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide (CID 19201978) is 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide is CCCc1ccc(OCC(=O)NCCc2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide?
The InChIKey is KVVYUKIAEAJRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-2-6-16-9-10-18(17(20)13-16)23-14-19(22)21-12-11-15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide?
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide has a molecular weight of 376.29 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 19201978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).