2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide

C14H20BrFN2O — CID 119764798

IUPAC2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O/c1-4-9(2)13(17)14(19)18(3)8-10-7-11(15)5-6-12(10)16/h5-7,9,13H,4,8,17H2,1-3H3
InChIKeyUEGDKXJICHBGPL-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.92
Rot. Bonds5

About 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide (PubChem CID 119764798) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide
PubChem CID119764798
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O/c1-4-9(2)13(17)14(19)18(3)8-10-7-11(15)5-6-12(10)16/h5-7,9,13H,4,8,17H2,1-3H3
InChIKeyUEGDKXJICHBGPL-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,3-dimethylpentanamide
CID 166372216
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
N-[(5-bromo-2-fluorophenyl)methyl]-2-cyano-N-methylbutanamide
CID 115188370
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180686
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
CID 55580788
2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 134053978
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
2-amino-4-[(5-bromo-2-fluorophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 115181116
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide?
The IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide (CID 119764798) is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide is CCC(C)C(N)C(=O)N(C)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide?
The InChIKey is UEGDKXJICHBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-4-9(2)13(17)14(19)18(3)8-10-7-11(15)5-6-12(10)16/h5-7,9,13H,4,8,17H2,1-3H3.
What are the key properties of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide?
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide has a molecular weight of 331.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 119764798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).