2-(4-bromo-3-chloroanilino)-N-ethylpropanamide

C11H14BrClN2O — CID 107620078

IUPAC2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O/c1-3-14-11(16)7(2)15-8-4-5-9(12)10(13)6-8/h4-7,15H,3H2,1-2H3,(H,14,16)
InChIKeyHVDWPYLTVKQWJJ-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.04
Rot. Bonds4

About 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide

2-(4-bromo-3-chloroanilino)-N-ethylpropanamide (PubChem CID 107620078) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
PubChem CID107620078
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O/c1-3-14-11(16)7(2)15-8-4-5-9(12)10(13)6-8/h4-7,15H,3H2,1-2H3,(H,14,16)
InChIKeyHVDWPYLTVKQWJJ-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
CID 107619927
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(4-bromo-3-chloroanilino)-N-ethylacetamide
CID 103823383
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
CID 43088889
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 80965532
(2R)-2-(3,4-dichloroanilino)propanehydrazide
CID 946902

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide?
The IUPAC name of 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide (CID 107620078) is 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide?
The InChIKey is HVDWPYLTVKQWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-3-14-11(16)7(2)15-8-4-5-9(12)10(13)6-8/h4-7,15H,3H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide?
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide has a molecular weight of 305.60 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloroanilino)-N-ethylpropanamide is sourced from PubChem (CID 107620078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).