5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide

C12H10BrClN2O — CID 54912686

IUPAC5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
SMILESN#CC1(NC(=O)c2cc(Br)ccc2Cl)CCC1
InChIInChI=1S/C12H10BrClN2O/c13-8-2-3-10(14)9(6-8)11(17)16-12(7-15)4-1-5-12/h2-3,6H,1,4-5H2,(H,16,17)
InChIKeyGVAPNVUTINQAOH-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.28
Rot. Bonds2

About 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide

5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide (PubChem CID 54912686) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
PubChem CID54912686
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
SMILESN#CC1(NC(=O)c2cc(Br)ccc2Cl)CCC1
InChIInChI=1S/C12H10BrClN2O/c13-8-2-3-10(14)9(6-8)11(17)16-12(7-15)4-1-5-12/h2-3,6H,1,4-5H2,(H,16,17)
InChIKeyGVAPNVUTINQAOH-UHFFFAOYSA-N
XLogP3.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110473984
2-chloro-N-(1-cyanocyclobutyl)furan-3-carboxamide
CID 106685763
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 16524622
3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
CID 103827162
4-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110474001
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
4-chloro-N-(1-cyanocyclobutyl)-3-nitrobenzamide
CID 61217403
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
2,5-dibromo-N-(1-cyanocyclopropyl)pyridine-3-carboxamide
CID 154867522

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide (CID 54912686) is 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide is N#CC1(NC(=O)c2cc(Br)ccc2Cl)CCC1.
What is the InChIKey of 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide?
The InChIKey is GVAPNVUTINQAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-8-2-3-10(14)9(6-8)11(17)16-12(7-15)4-1-5-12/h2-3,6H,1,4-5H2,(H,16,17).
What are the key properties of 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide?
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide has a molecular weight of 313.58 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide is sourced from PubChem (CID 54912686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).