N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide

C11H11BrClNO — CID 81272636

IUPACN-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1CCC1
InChIInChI=1S/C11H11BrClNO/c12-9-5-4-8(13)6-10(9)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15)
InChIKeyFSQRUKIEYAGLBJ-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.84
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide

N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide (PubChem CID 81272636) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
PubChem CID81272636
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC NameN-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1CCC1
InChIInChI=1S/C11H11BrClNO/c12-9-5-4-8(13)6-10(9)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15)
InChIKeyFSQRUKIEYAGLBJ-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide
CID 81271143
N-(2-bromo-5-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 81272331
4-bromo-3-(cyclobutanecarbonylamino)benzoic acid
CID 107812424
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 81271769
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
(1S,6R)-6-[(2-bromo-5-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103775279
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide (CID 81272636) is N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide is O=C(Nc1cc(Cl)ccc1Br)C1CCC1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide?
The InChIKey is FSQRUKIEYAGLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c12-9-5-4-8(13)6-10(9)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15).
What are the key properties of N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide?
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide has a molecular weight of 288.57 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide is sourced from PubChem (CID 81272636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).