2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide

C15H20BrFN2O2 — CID 134053978

IUPAC2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1cc(Br)ccc1F)C(C)C
InChIInChI=1S/C15H20BrFN2O2/c1-9(2)14(18-10(3)20)15(21)19(4)8-11-7-12(16)5-6-13(11)17/h5-7,9,14H,8H2,1-4H3,(H,18,20)
InChIKeyIKWABFICOBQCSY-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.71
Rot. Bonds5

About 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide

2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 134053978) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID134053978
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1cc(Br)ccc1F)C(C)C
InChIInChI=1S/C15H20BrFN2O2/c1-9(2)14(18-10(3)20)15(21)19(4)8-11-7-12(16)5-6-13(11)17/h5-7,9,14H,8H2,1-4H3,(H,18,20)
InChIKeyIKWABFICOBQCSY-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 31138547
(2S,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,3-dimethylpentanamide
CID 166372216
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
CID 55580788
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180686
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide
CID 119764798
(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 30796588
N-[(5-bromo-2-fluorophenyl)methyl]-2-cyano-N-methylbutanamide
CID 115188370
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
1-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86867232
2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 78769021
N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165774
N-[1-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 112817434

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide (CID 134053978) is 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide is CC(=O)NC(C(=O)N(C)Cc1cc(Br)ccc1F)C(C)C.
What is the InChIKey of 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is IKWABFICOBQCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-9(2)14(18-10(3)20)15(21)19(4)8-11-7-12(16)5-6-13(11)17/h5-7,9,14H,8H2,1-4H3,(H,18,20).
What are the key properties of 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 359.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 134053978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).