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

C18H20BrNO5 — CID 18083742

IUPAC2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20BrNO5/c1-11(25-14-7-5-12(19)6-8-14)18(21)20-13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeyZELVYAFHILWYBH-UHFFFAOYSA-N
MW410.26 g/mol
LogP3.88
Rot. Bonds7

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

2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 18083742) has the molecular formula C18H20BrNO5 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID18083742
Molecular FormulaC18H20BrNO5
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20BrNO5/c1-11(25-14-7-5-12(19)6-8-14)18(21)20-13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeyZELVYAFHILWYBH-UHFFFAOYSA-N
XLogP3.88
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991764
2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 2953803
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 2953802
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 7376119
N-(4-propan-2-yloxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987392
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 18083742) is 2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)C(C)Oc2ccc(Br)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is ZELVYAFHILWYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO5/c1-11(25-14-7-5-12(19)6-8-14)18(21)20-13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11H,1-4H3,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide?
2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 410.26 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 18083742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).