2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide

C12H18FN3O — CID 115355980

IUPAC2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1ccc(F)cc1N
InChIInChI=1S/C12H18FN3O/c1-12(2,3)16-11(17)7-15-10-5-4-8(13)6-9(10)14/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyCODDHYSSLPEACP-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.73
Rot. Bonds3

About 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide

2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide (PubChem CID 115355980) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
PubChem CID115355980
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1ccc(F)cc1N
InChIInChI=1S/C12H18FN3O/c1-12(2,3)16-11(17)7-15-10-5-4-8(13)6-9(10)14/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyCODDHYSSLPEACP-UHFFFAOYSA-N
XLogP1.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
CID 81186168
2-(2-amino-5-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79148601
2-(4-amino-2-iodoanilino)-N-tert-butylacetamide
CID 113293139
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
N-tert-butyl-2-(4-carbamothioyl-2-fluoroanilino)acetamide
CID 115356360
2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide
CID 107259478
N-tert-butyl-2-(4-carbamothioyl-2,3-difluoroanilino)acetamide
CID 107935158
2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide
CID 16772032
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
2-(2-amino-5-fluoroanilino)-N-ethylacetamide
CID 62377991
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
2-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-N-tert-butylacetamide
CID 115356002

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide (CID 115355980) is 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide?
The InChIKey is CODDHYSSLPEACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-12(2,3)16-11(17)7-15-10-5-4-8(13)6-9(10)14/h4-6,15H,7,14H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide?
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide has a molecular weight of 239.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide is sourced from PubChem (CID 115355980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).