3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide

C13H18FN3O2 — CID 119683514

IUPAC3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H18FN3O2/c1-9(15)6-13(19)17(2)8-12(18)16-11-5-3-4-10(14)7-11/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,18)
InChIKeyDAPAWSAXDYXMOB-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.96
Rot. Bonds5

About 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide

3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide (PubChem CID 119683514) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
PubChem CID119683514
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H18FN3O2/c1-9(15)6-13(19)17(2)8-12(18)16-11-5-3-4-10(14)7-11/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,18)
InChIKeyDAPAWSAXDYXMOB-UHFFFAOYSA-N
XLogP0.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 97329159
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride
CID 120562179
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide (CID 119683514) is 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide is CC(N)CC(=O)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide?
The InChIKey is DAPAWSAXDYXMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(15)6-13(19)17(2)8-12(18)16-11-5-3-4-10(14)7-11/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide?
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide has a molecular weight of 267.30 g/mol, XLogP of 0.96, 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-fluoroanilino)-2-oxoethyl]-N-methylbutanamide is sourced from PubChem (CID 119683514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).