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

C17H17BrClNO4 — CID 2953802

IUPAC2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)C(C)Oc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C17H17BrClNO4/c1-10(24-12-6-4-11(18)5-7-12)17(21)20-14-8-13(19)15(22-2)9-16(14)23-3/h4-10H,1-3H3,(H,20,21)
InChIKeyYZUVYGPOWHNSBT-UHFFFAOYSA-N
MW414.68 g/mol
LogP4.53
Rot. Bonds6

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

2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide (PubChem CID 2953802) has the molecular formula C17H17BrClNO4 and a molecular weight of 414.68 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
PubChem CID2953802
Molecular FormulaC17H17BrClNO4
Molecular Weight414.68 g/mol
Exact Mass413.00
IUPAC Name2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)C(C)Oc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C17H17BrClNO4/c1-10(24-12-6-4-11(18)5-7-12)17(21)20-14-8-13(19)15(22-2)9-16(14)23-3/h4-10H,1-3H3,(H,20,21)
InChIKeyYZUVYGPOWHNSBT-UHFFFAOYSA-N
XLogP4.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 7376119
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 42905073
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203937
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31966341
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 5013709
2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 18083742
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
CID 9181052
(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 2204043
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide (CID 2953802) is 2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide is COc1cc(OC)c(NC(=O)C(C)Oc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
The InChIKey is YZUVYGPOWHNSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO4/c1-10(24-12-6-4-11(18)5-7-12)17(21)20-14-8-13(19)15(22-2)9-16(14)23-3/h4-10H,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide has a molecular weight of 414.68 g/mol, XLogP of 4.53, 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-(5-chloro-2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 2953802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).