N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide

C11H11BrFNO — CID 124505704

IUPACN-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(F)cc(Br)c1)C1CCC1
InChIInChI=1S/C11H11BrFNO/c12-8-4-9(13)6-10(5-8)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15)
InChIKeyIUCNCTHNKBPJTQ-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.33
Rot. Bonds2

About N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide

N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide (PubChem CID 124505704) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
PubChem CID124505704
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC NameN-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(F)cc(Br)c1)C1CCC1
InChIInChI=1S/C11H11BrFNO/c12-8-4-9(13)6-10(5-8)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15)
InChIKeyIUCNCTHNKBPJTQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
CID 110604732
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
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3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783799
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
3-[(3-bromo-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577284
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide
CID 154866180
1-(3-bromo-5-fluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111476022
5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide
CID 9466178
3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111476030

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide?
The IUPAC name of N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide (CID 124505704) is N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide is O=C(Nc1cc(F)cc(Br)c1)C1CCC1.
What is the InChIKey of N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide?
The InChIKey is IUCNCTHNKBPJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c12-8-4-9(13)6-10(5-8)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15).
What are the key properties of N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide?
N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide has a molecular weight of 272.12 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide is sourced from PubChem (CID 124505704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).