N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide

C14H19F2N3O2 — CID 119771989

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N3O2/c1-17-5-3-4-14(21)19(2)9-13(20)18-12-7-10(15)6-11(16)8-12/h6-8,17H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyBDDDMBBUOMVYAW-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.36
Rot. Bonds7

About N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide (PubChem CID 119771989) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide
PubChem CID119771989
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N3O2/c1-17-5-3-4-14(21)19(2)9-13(20)18-12-7-10(15)6-11(16)8-12/h6-8,17H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyBDDDMBBUOMVYAW-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride
CID 120562179
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119772010
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 119772007
2-(cyclopropylmethylamino)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 119772006
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
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9426932
N-(3,5-difluorophenyl)butanamide
CID 17271988
N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119739080
4-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9426993

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide (CID 119771989) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide?
The InChIKey is BDDDMBBUOMVYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-17-5-3-4-14(21)19(2)9-13(20)18-12-7-10(15)6-11(16)8-12/h6-8,17H,3-5,9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide has a molecular weight of 299.32 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 N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 119771989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).