3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide

C14H20FN3O2 — CID 106277204

IUPAC3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H20FN3O2/c1-14(2,13(20)16-3)9-17-8-12(19)18-11-6-4-5-10(15)7-11/h4-7,17H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyKAQHASCSPYVGQE-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.13
Rot. Bonds6

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

3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106277204) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106277204
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H20FN3O2/c1-14(2,13(20)16-3)9-17-8-12(19)18-11-6-4-5-10(15)7-11/h4-7,17H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyKAQHASCSPYVGQE-UHFFFAOYSA-N
XLogP1.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide 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-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106276999
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide
CID 114093423
2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
CID 115626967
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79791972
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (CID 106277204) is 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is KAQHASCSPYVGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-14(2,13(20)16-3)9-17-8-12(19)18-11-6-4-5-10(15)7-11/h4-7,17H,8-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 281.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).