2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide

C15H19F2N3O2 — CID 119772007

IUPAC2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)CNCC1CC1
InChIInChI=1S/C15H19F2N3O2/c1-20(15(22)8-18-7-10-2-3-10)9-14(21)19-13-5-11(16)4-12(17)6-13/h4-6,10,18H,2-3,7-9H2,1H3,(H,19,21)
InChIKeyFRAXPKITRDDJAS-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.36
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide

2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 119772007) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID119772007
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)CNCC1CC1
InChIInChI=1S/C15H19F2N3O2/c1-20(15(22)8-18-7-10-2-3-10)9-14(21)19-13-5-11(16)4-12(17)6-13/h4-6,10,18H,2-3,7-9H2,1H3,(H,19,21)
InChIKeyFRAXPKITRDDJAS-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 119772006
2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 119697251
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide
CID 119771989
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-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119691966
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791947
2-(cyclopropylmethylamino)-1-(3,5-difluorophenyl)ethanone
CID 116557749
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119316827
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 116652536

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide (CID 119772007) is 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is FRAXPKITRDDJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-20(15(22)8-18-7-10-2-3-10)9-14(21)19-13-5-11(16)4-12(17)6-13/h4-6,10,18H,2-3,7-9H2,1H3,(H,19,21).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide?
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 311.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 119772007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).