N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide

C12H15Cl2FN2O — CID 83078688

IUPACN-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H15Cl2FN2O/c1-3-16-6-7(2)12(18)17-11-9(13)4-8(15)5-10(11)14/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyLUWOFQGWQNXHJK-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.32
Rot. Bonds5

About N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide

N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide (PubChem CID 83078688) has the molecular formula C12H15Cl2FN2O and a molecular weight of 293.17 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide
PubChem CID83078688
Molecular FormulaC12H15Cl2FN2O
Molecular Weight293.17 g/mol
Exact Mass292.05
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H15Cl2FN2O/c1-3-16-6-7(2)12(18)17-11-9(13)4-8(15)5-10(11)14/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyLUWOFQGWQNXHJK-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
N-(2,6-dichloro-4-fluorophenyl)-2-(ethylamino)acetamide
CID 83078558
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
CID 55122685
1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
CID 116657360
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
4-chloro-3-[[3-(ethylamino)-2-methylpropanoyl]amino]benzoic acid
CID 62838559
methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate
CID 83079185
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4,5-difluorobenzoic acid
CID 62865745
2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 83079489

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide (CID 83078688) is N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide?
The InChIKey is LUWOFQGWQNXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2FN2O/c1-3-16-6-7(2)12(18)17-11-9(13)4-8(15)5-10(11)14/h4-5,7,16H,3,6H2,1-2H3,(H,17,18).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide?
N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide has a molecular weight of 293.17 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 83078688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).