1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

C15H20BrFN2O2 — CID 107625694

IUPAC1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2cc(F)ccc2Br)C1(C)C
InChIInChI=1S/C15H20BrFN2O2/c1-4-21-12-8-15(18,14(12,2)3)13(20)19-11-7-9(17)5-6-10(11)16/h5-7,12H,4,8,18H2,1-3H3,(H,19,20)
InChIKeyPSVMSQBROSSPHT-UHFFFAOYSA-N
MW359.24 g/mol
LogP3.06
Rot. Bonds4

About 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 107625694) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID107625694
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2cc(F)ccc2Br)C1(C)C
InChIInChI=1S/C15H20BrFN2O2/c1-4-21-12-8-15(18,14(12,2)3)13(20)19-11-7-9(17)5-6-10(11)16/h5-7,12H,4,8,18H2,1-3H3,(H,19,20)
InChIKeyPSVMSQBROSSPHT-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827880
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 114827931
1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827953
1-amino-N-(4-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827956
1-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827966
1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827748
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270141
1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114829091
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
CID 107625627
1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide
CID 104979683
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (CID 107625694) is 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)Nc2cc(F)ccc2Br)C1(C)C.
What is the InChIKey of 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is PSVMSQBROSSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-4-21-12-8-15(18,14(12,2)3)13(20)19-11-7-9(17)5-6-10(11)16/h5-7,12H,4,8,18H2,1-3H3,(H,19,20).
What are the key properties of 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 359.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 107625694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).