2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide

C17H18BrNO4 — CID 2953803

IUPAC2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccc(Br)cc2)cc(OC)c1
InChIInChI=1S/C17H18BrNO4/c1-11(23-14-6-4-12(18)5-7-14)17(20)19-13-8-15(21-2)10-16(9-13)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyYRYYRLJBGBEPEH-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.87
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide

2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 2953803) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID2953803
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccc(Br)cc2)cc(OC)c1
InChIInChI=1S/C17H18BrNO4/c1-11(23-14-6-4-12(18)5-7-14)17(20)19-13-8-15(21-2)10-16(9-13)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyYRYYRLJBGBEPEH-UHFFFAOYSA-N
XLogP3.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 18083742
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide (CID 2953803) is 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)C(C)Oc2ccc(Br)cc2)cc(OC)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is YRYYRLJBGBEPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-11(23-14-6-4-12(18)5-7-14)17(20)19-13-8-15(21-2)10-16(9-13)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide?
2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 380.24 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 2953803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).