4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide

C15H15Br2FN2OS — CID 156570202

IUPAC4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide
SMILESCC(CC(N)c1cc(Br)cs1)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15Br2FN2OS/c1-8(4-13(19)14-5-9(16)7-22-14)15(21)20-10-2-3-12(18)11(17)6-10/h2-3,5-8,13H,4,19H2,1H3,(H,20,21)
InChIKeyRRFIJBHZOZIETM-UHFFFAOYSA-N
MW450.17 g/mol
LogP5.08
Rot. Bonds5

About 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide

4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide (PubChem CID 156570202) has the molecular formula C15H15Br2FN2OS and a molecular weight of 450.17 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide
PubChem CID156570202
Molecular FormulaC15H15Br2FN2OS
Molecular Weight450.17 g/mol
Exact Mass447.93
IUPAC Name4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide
SMILESCC(CC(N)c1cc(Br)cs1)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15Br2FN2OS/c1-8(4-13(19)14-5-9(16)7-22-14)15(21)20-10-2-3-12(18)11(17)6-10/h2-3,5-8,13H,4,19H2,1H3,(H,20,21)
InChIKeyRRFIJBHZOZIETM-UHFFFAOYSA-N
XLogP5.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.17
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
CID 104778265
4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)butanamide
CID 156570424
(2S,4R)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-4-[4-(4-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]butanamide
CID 156570204
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide
CID 115664983
2-amino-N-(3-bromo-4-fluorophenyl)pent-4-enamide
CID 104778206
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104780150
N-(3-bromo-4-fluorophenyl)-2-carbamothioylbutanamide
CID 104779003

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide (CID 156570202) is 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide is CC(CC(N)c1cc(Br)cs1)C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide?
The InChIKey is RRFIJBHZOZIETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2FN2OS/c1-8(4-13(19)14-5-9(16)7-22-14)15(21)20-10-2-3-12(18)11(17)6-10/h2-3,5-8,13H,4,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide?
4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide has a molecular weight of 450.17 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-4-fluorophenyl)-4-(4-bromothiophen-2-yl)-2-methylbutanamide is sourced from PubChem (CID 156570202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).