3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide

C14H21FN2O — CID 65267367

IUPAC3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide
SMILESCN(C(=O)C(C)(C)C(C)(C)N)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-13(2,14(3,4)16)12(18)17(5)11-9-7-6-8-10(11)15/h6-9H,16H2,1-5H3
InChIKeySUDXQEAJTSWCHK-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.55
Rot. Bonds3

About 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide

3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide (PubChem CID 65267367) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide
PubChem CID65267367
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide
SMILESCN(C(=O)C(C)(C)C(C)(C)N)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-13(2,14(3,4)16)12(18)17(5)11-9-7-6-8-10(11)15/h6-9H,16H2,1-5H3
InChIKeySUDXQEAJTSWCHK-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide
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N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide
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2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
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N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide (CID 65267367) is 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide is CN(C(=O)C(C)(C)C(C)(C)N)c1ccccc1F.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide?
The InChIKey is SUDXQEAJTSWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-13(2,14(3,4)16)12(18)17(5)11-9-7-6-8-10(11)15/h6-9H,16H2,1-5H3.
What are the key properties of 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide?
3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide is sourced from PubChem (CID 65267367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).