2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide

C13H18BrN3O3 — CID 82867225

IUPAC2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C13H18BrN3O3/c1-4-15-13(19)17-12(18)8(2)16-10-5-9(14)6-11(7-10)20-3/h5-8,16H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyXXTXJVJHZSITMF-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.10
Rot. Bonds5

About 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide

2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 82867225) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID82867225
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C13H18BrN3O3/c1-4-15-13(19)17-12(18)8(2)16-10-5-9(14)6-11(7-10)20-3/h5-8,16H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyXXTXJVJHZSITMF-UHFFFAOYSA-N
XLogP2.10
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide
CID 82867453
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
CID 43086081
(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
CID 32737082
2-(3-bromo-5-methoxyanilino)-N-ethylacetamide
CID 82867784
3-(3-bromo-5-methoxyanilino)butanoic acid
CID 82868127
2-(3-bromo-5-methoxyanilino)hexanoic acid
CID 103262077
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide
CID 102815690

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide (CID 82867225) is 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1cc(Br)cc(OC)c1.
What is the InChIKey of 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is XXTXJVJHZSITMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-4-15-13(19)17-12(18)8(2)16-10-5-9(14)6-11(7-10)20-3/h5-8,16H,4H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 344.21 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 82867225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).