N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide

C14H20FN3O2 — CID 76893268

IUPACN-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C14H20FN3O2/c1-8(19)17-9-5-6-10(15)11(7-9)18-13(20)12(16)14(2,3)4/h5-7,12H,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeySDYIVVAEUOIGTC-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.10
Rot. Bonds3

About N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide

N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide (PubChem CID 76893268) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
PubChem CID76893268
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C14H20FN3O2/c1-8(19)17-9-5-6-10(15)11(7-9)18-13(20)12(16)14(2,3)4/h5-7,12H,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeySDYIVVAEUOIGTC-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzamide;hydrochloride
CID 119727619
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
methyl 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzoate
CID 61179435
(2R)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3,3-dimethylbutanamide
CID 103928803
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
(2S)-2-amino-N-(2-fluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61155225
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-fluorobenzoic acid
CID 103869120
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide (CID 76893268) is N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide is CC(=O)Nc1ccc(F)c(NC(=O)C(N)C(C)(C)C)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide?
The InChIKey is SDYIVVAEUOIGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-8(19)17-9-5-6-10(15)11(7-9)18-13(20)12(16)14(2,3)4/h5-7,12H,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide?
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide has a molecular weight of 281.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide is sourced from PubChem (CID 76893268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).