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

C13H18ClF2N3O2 — CID 119772016

IUPAC3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C13H17F2N3O2.ClH/c1-8(16)3-13(20)18(2)7-12(19)17-11-5-9(14)4-10(15)6-11;/h4-6,8H,3,7,16H2,1-2H3,(H,17,19);1H
InChIKeyMFCYCTGMICRTHZ-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.52
Rot. Bonds5

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

3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride (PubChem CID 119772016) has the molecular formula C13H18ClF2N3O2 and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
PubChem CID119772016
Molecular FormulaC13H18ClF2N3O2
Molecular Weight321.76 g/mol
Exact Mass321.11
IUPAC Name3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C13H17F2N3O2.ClH/c1-8(16)3-13(20)18(2)7-12(19)17-11-5-9(14)4-10(15)6-11;/h4-6,8H,3,7,16H2,1-2H3,(H,17,19);1H
InChIKeyMFCYCTGMICRTHZ-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120562179
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CID 119683514
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119772010
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide
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3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
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
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
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
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride (CID 119772016) is 3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride is CC(N)CC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride?
The InChIKey is MFCYCTGMICRTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2.ClH/c1-8(16)3-13(20)18(2)7-12(19)17-11-5-9(14)4-10(15)6-11;/h4-6,8H,3,7,16H2,1-2H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride?
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride has a molecular weight of 321.76 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119772016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).