2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide

C12H15Cl2FN2O — CID 83079399

IUPAC2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H15Cl2FN2O/c1-6(2)3-10(16)12(18)17-11-8(13)4-7(15)5-9(11)14/h4-6,10H,3,16H2,1-2H3,(H,17,18)
InChIKeyOIWWGBOZNPBZHX-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.44
Rot. Bonds4

About 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide

2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide (PubChem CID 83079399) has the molecular formula C12H15Cl2FN2O and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
PubChem CID83079399
Molecular FormulaC12H15Cl2FN2O
Molecular Weight293.17 g/mol
Exact Mass292.05
IUPAC Name2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H15Cl2FN2O/c1-6(2)3-10(16)12(18)17-11-8(13)4-7(15)5-9(11)14/h4-6,10H,3,16H2,1-2H3,(H,17,18)
InChIKeyOIWWGBOZNPBZHX-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
CID 83079089
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
CID 61161551
(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564487
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide
CID 83078688
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide (CID 83079399) is 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide is CC(C)CC(N)C(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide?
The InChIKey is OIWWGBOZNPBZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2FN2O/c1-6(2)3-10(16)12(18)17-11-8(13)4-7(15)5-9(11)14/h4-6,10H,3,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide?
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide has a molecular weight of 293.17 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 83079399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).