4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride

C14H20ClF2N3O2 — CID 120562179

IUPAC4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C14H19F2N3O2.ClH/c1-9(17)3-4-14(21)19(2)8-13(20)18-12-6-10(15)5-11(16)7-12;/h5-7,9H,3-4,8,17H2,1-2H3,(H,18,20);1H
InChIKeyMVXCTIWJWLOMDM-UHFFFAOYSA-N
MW335.78 g/mol
LogP1.91
Rot. Bonds6

About 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride

4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride (PubChem CID 120562179) has the molecular formula C14H20ClF2N3O2 and a molecular weight of 335.78 g/mol. Its IUPAC name is 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride
PubChem CID120562179
Molecular FormulaC14H20ClF2N3O2
Molecular Weight335.78 g/mol
Exact Mass335.12
IUPAC Name4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C14H19F2N3O2.ClH/c1-9(17)3-4-14(21)19(2)8-13(20)18-12-6-10(15)5-11(16)7-12;/h5-7,9H,3-4,8,17H2,1-2H3,(H,18,20);1H
InChIKeyMVXCTIWJWLOMDM-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016
4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
CID 120558863
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide
CID 119771989
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 119683514
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119772010
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 119772006
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 119772007
2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791947
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride (CID 120562179) is 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride is CC(N)CCC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.Cl.
What is the InChIKey of 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride?
The InChIKey is MVXCTIWJWLOMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2.ClH/c1-9(17)3-4-14(21)19(2)8-13(20)18-12-6-10(15)5-11(16)7-12;/h5-7,9H,3-4,8,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride?
4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride has a molecular weight of 335.78 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 120562179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).