3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide

C18H18BrFN2O3 — CID 55784977

IUPAC3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(C(N)=O)cc(F)c2C)c(Br)c1
InChIInChI=1S/C18H18BrFN2O3/c1-9-4-5-16(13(19)6-9)25-11(3)18(24)22-15-8-12(17(21)23)7-14(20)10(15)2/h4-8,11H,1-3H3,(H2,21,23)(H,22,24)
InChIKeyQWMMCHVNHRJQDA-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.71
Rot. Bonds5

About 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide

3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide (PubChem CID 55784977) has the molecular formula C18H18BrFN2O3 and a molecular weight of 409.26 g/mol. Its IUPAC name is 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide
PubChem CID55784977
Molecular FormulaC18H18BrFN2O3
Molecular Weight409.26 g/mol
Exact Mass408.05
IUPAC Name3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(C(N)=O)cc(F)c2C)c(Br)c1
InChIInChI=1S/C18H18BrFN2O3/c1-9-4-5-16(13(19)6-9)25-11(3)18(24)22-15-8-12(17(21)23)7-14(20)10(15)2/h4-8,11H,1-3H3,(H2,21,23)(H,22,24)
InChIKeyQWMMCHVNHRJQDA-UHFFFAOYSA-N
XLogP3.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 56581617
2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633931
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115556847
2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide
CID 94662462
N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
CID 55424008

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide (CID 55784977) is 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide is Cc1ccc(OC(C)C(=O)Nc2cc(C(N)=O)cc(F)c2C)c(Br)c1.
What is the InChIKey of 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is QWMMCHVNHRJQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3/c1-9-4-5-16(13(19)6-9)25-11(3)18(24)22-15-8-12(17(21)23)7-14(20)10(15)2/h4-8,11H,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide?
3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 409.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 55784977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).