N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide

C10H10BrClN2O — CID 81271143

IUPACN-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1CNC1
InChIInChI=1S/C10H10BrClN2O/c11-8-2-1-7(12)3-9(8)14-10(15)6-4-13-5-6/h1-3,6,13H,4-5H2,(H,14,15)
InChIKeyDUBORUMSZBOLDS-UHFFFAOYSA-N
MW289.56 g/mol
LogP2.26
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide

N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide (PubChem CID 81271143) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide
PubChem CID81271143
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC NameN-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1CNC1
InChIInChI=1S/C10H10BrClN2O/c11-8-2-1-7(12)3-9(8)14-10(15)6-4-13-5-6/h1-3,6,13H,4-5H2,(H,14,15)
InChIKeyDUBORUMSZBOLDS-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(2-bromo-5-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 81272331
N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 81271769
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
(1S,6R)-6-[(2-bromo-5-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103775279
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81271371
N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114429344

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide (CID 81271143) is N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Br)C1CNC1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide?
The InChIKey is DUBORUMSZBOLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c11-8-2-1-7(12)3-9(8)14-10(15)6-4-13-5-6/h1-3,6,13H,4-5H2,(H,14,15).
What are the key properties of N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide?
N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide has a molecular weight of 289.56 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide is sourced from PubChem (CID 81271143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).