N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide

C12H16BrFN2O — CID 55121126

IUPACN-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-4-15-12(2,3)11(17)16-10-6-5-8(13)7-9(10)14/h5-7,15H,4H2,1-3H3,(H,16,17)
InChIKeyYZDCIACYSFXDAN-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.91
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide

N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 55121126) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID55121126
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-4-15-12(2,3)11(17)16-10-6-5-8(13)7-9(10)14/h5-7,15H,4H2,1-3H3,(H,16,17)
InChIKeyYZDCIACYSFXDAN-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
N-[5-bromo-2-(dimethylamino)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833937
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
CID 107798144
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
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N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114001853
N-(4-bromo-2-fluorophenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920553
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
CID 62171530
N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82016198

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide (CID 55121126) is N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is YZDCIACYSFXDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-4-15-12(2,3)11(17)16-10-6-5-8(13)7-9(10)14/h5-7,15H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide?
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 303.18 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 55121126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).