N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

C19H20BrNO3 — CID 16548375

IUPACN-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C19H20BrNO3/c1-3-18(22)14-8-10-15(11-9-14)24-12-19(23)21-13(2)16-6-4-5-7-17(16)20/h4-11,13H,3,12H2,1-2H3,(H,21,23)
InChIKeyPTFQWKPAZSWLGS-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.30
Rot. Bonds7

About N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 16548375) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID16548375
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C19H20BrNO3/c1-3-18(22)14-8-10-15(11-9-14)24-12-19(23)21-13(2)16-6-4-5-7-17(16)20/h4-11,13H,3,12H2,1-2H3,(H,21,23)
InChIKeyPTFQWKPAZSWLGS-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855207
N-[(1R)-1-naphthalen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 7733632
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8759816
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9220109
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9220108
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide
CID 113344955

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (CID 16548375) is N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NC(C)c2ccccc2Br)cc1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is PTFQWKPAZSWLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-3-18(22)14-8-10-15(11-9-14)24-12-19(23)21-13(2)16-6-4-5-7-17(16)20/h4-11,13H,3,12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 390.28 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 16548375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).