N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride

C14H20ClF2N3O2 — CID 119772010

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C14H19F2N3O2.ClH/c1-9(7-17-2)14(21)19(3)8-13(20)18-12-5-10(15)4-11(16)6-12;/h4-6,9,17H,7-8H2,1-3H3,(H,18,20);1H
InChIKeyNEBAKQPECGEAOP-UHFFFAOYSA-N
MW335.78 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119772010) has the molecular formula C14H20ClF2N3O2 and a molecular weight of 335.78 g/mol. Its IUPAC name is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119772010
Molecular FormulaC14H20ClF2N3O2
Molecular Weight335.78 g/mol
Exact Mass335.12
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C14H19F2N3O2.ClH/c1-9(7-17-2)14(21)19(3)8-13(20)18-12-5-10(15)4-11(16)6-12;/h4-6,9,17H,7-8H2,1-3H3,(H,18,20);1H
InChIKeyNEBAKQPECGEAOP-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79203045
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016
4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride
CID 120562179
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide
CID 119771989
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119684867
2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791947
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 119772006
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 62729410
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 119772007

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride (CID 119772010) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.Cl.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is NEBAKQPECGEAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2.ClH/c1-9(7-17-2)14(21)19(3)8-13(20)18-12-5-10(15)4-11(16)6-12;/h4-6,9,17H,7-8H2,1-3H3,(H,18,20);1H.
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 335.78 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119772010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).