N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide

C13H16BrN3O — CID 107798144

IUPACN-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C13H16BrN3O/c1-4-16-13(2,3)12(18)17-11-7-10(14)6-5-9(11)8-15/h5-7,16H,4H2,1-3H3,(H,17,18)
InChIKeyIKVZRGLWZGLFOL-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.65
Rot. Bonds4

About N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide

N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 107798144) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID107798144
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C13H16BrN3O/c1-4-16-13(2,3)12(18)17-11-7-10(14)6-5-9(11)8-15/h5-7,16H,4H2,1-3H3,(H,17,18)
InChIKeyIKVZRGLWZGLFOL-UHFFFAOYSA-N
XLogP2.65
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-3-chloro-2,2-dimethylpropanamide
CID 107797781
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833937
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 55121126
N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82016198
2-(5-bromo-2-cyanoanilino)-N-ethylacetamide
CID 114901468
2-(5-bromo-2-cyanoanilino)-2-methylpropanamide
CID 114901722
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide
CID 107798334
3-(5-bromo-2-cyanoanilino)-N,2,2-trimethylpropanamide
CID 114167373
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 104880407

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide (CID 107798144) is N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is IKVZRGLWZGLFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-4-16-13(2,3)12(18)17-11-7-10(14)6-5-9(11)8-15/h5-7,16H,4H2,1-3H3,(H,17,18).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide?
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 310.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 107798144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).