N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide

C13H18FN3O2 — CID 79796992

IUPACN-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-4-13(3,15)12(19)17-11-7-9(16-8(2)18)5-6-10(11)14/h5-7H,4,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyQHVMJFYQCVMCSF-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.85
Rot. Bonds4

About N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide

N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide (PubChem CID 79796992) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
PubChem CID79796992
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-4-13(3,15)12(19)17-11-7-9(16-8(2)18)5-6-10(11)14/h5-7H,4,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyQHVMJFYQCVMCSF-UHFFFAOYSA-N
XLogP1.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
CID 79797233
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268
N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
CID 79797274
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369
N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62845784
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
2-amino-N-(5-fluoro-2-methylphenyl)-2-methylbutanamide
CID 79796953
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 79796494
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide (CID 79796992) is N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide is CCC(C)(N)C(=O)Nc1cc(NC(C)=O)ccc1F.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide?
The InChIKey is QHVMJFYQCVMCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-4-13(3,15)12(19)17-11-7-9(16-8(2)18)5-6-10(11)14/h5-7H,4,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide?
N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide has a molecular weight of 267.30 g/mol, XLogP of 1.85, 4 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-2-methylbutanamide is sourced from PubChem (CID 79796992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).