2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide

C14H20BrFN2O — CID 119742406

IUPAC2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H20BrFN2O/c1-3-7-14(2,17)13(19)18-8-6-10-4-5-12(16)11(15)9-10/h4-5,9H,3,6-8,17H2,1-2H3,(H,18,19)
InChIKeyGDUNYUZHPIFVFD-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.76
Rot. Bonds6

About 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide

2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide (PubChem CID 119742406) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
PubChem CID119742406
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H20BrFN2O/c1-3-7-14(2,17)13(19)18-8-6-10-4-5-12(16)11(15)9-10/h4-5,9H,3,6-8,17H2,1-2H3,(H,18,19)
InChIKeyGDUNYUZHPIFVFD-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
CID 119774865
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336
(2S)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299748
(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299762
2-amino-N-[2-(2-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119688573
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride
CID 119745886
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
CID 107611809
2-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylpentanamide
CID 102853754
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119742387
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylpentanamide
CID 119773286

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide (CID 119742406) is 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide?
The InChIKey is GDUNYUZHPIFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-3-7-14(2,17)13(19)18-8-6-10-4-5-12(16)11(15)9-10/h4-5,9H,3,6-8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide?
2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide has a molecular weight of 331.23 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 119742406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).