1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide

C11H12BrFN2O — CID 104778247

IUPAC1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(F)c(Br)c2)CCC1
InChIInChI=1S/C11H12BrFN2O/c12-8-6-7(2-3-9(8)13)15-10(16)11(14)4-1-5-11/h2-3,6H,1,4-5,14H2,(H,15,16)
InChIKeyPTIBDBJMQDRENE-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.41
Rot. Bonds2

About 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide

1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 104778247) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID104778247
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(F)c(Br)c2)CCC1
InChIInChI=1S/C11H12BrFN2O/c12-8-6-7(2-3-9(8)13)15-10(16)11(14)4-1-5-11/h2-3,6H,1,4-5,14H2,(H,15,16)
InChIKeyPTIBDBJMQDRENE-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
CID 65436937
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
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CID 65465257

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide (CID 104778247) is 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide is NC1(C(=O)Nc2ccc(F)c(Br)c2)CCC1.
What is the InChIKey of 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is PTIBDBJMQDRENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c12-8-6-7(2-3-9(8)13)15-10(16)11(14)4-1-5-11/h2-3,6H,1,4-5,14H2,(H,15,16).
What are the key properties of 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide?
1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 287.13 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 104778247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).