2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide

C21H18BrNO3 — CID 18837977

IUPAC2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18BrNO3/c1-15(25-19-11-7-16(22)8-12-19)21(24)23-17-9-13-20(14-10-17)26-18-5-3-2-4-6-18/h2-15H,1H3,(H,23,24)
InChIKeyMIUALAHUCPJCDO-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.65
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide

2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide (PubChem CID 18837977) has the molecular formula C21H18BrNO3 and a molecular weight of 412.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
PubChem CID18837977
Molecular FormulaC21H18BrNO3
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18BrNO3/c1-15(25-19-11-7-16(22)8-12-19)21(24)23-17-9-13-20(14-10-17)26-18-5-3-2-4-6-18/h2-15H,1H3,(H,23,24)
InChIKeyMIUALAHUCPJCDO-UHFFFAOYSA-N
XLogP5.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide (CID 18837977) is 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is MIUALAHUCPJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO3/c1-15(25-19-11-7-16(22)8-12-19)21(24)23-17-9-13-20(14-10-17)26-18-5-3-2-4-6-18/h2-15H,1H3,(H,23,24).
What are the key properties of 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide?
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 412.28 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 18837977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).