4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide

C12H13BrClNO2 — CID 66006638

IUPAC4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H13BrClNO2/c13-8-1-2-10(11(14)5-8)12(17)15-6-7-3-9(16)4-7/h1-2,5,7,9,16H,3-4,6H2,(H,15,17)
InChIKeyHLHXGKLILULAPK-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.60
Rot. Bonds3

About 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide

4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide (PubChem CID 66006638) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
PubChem CID66006638
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H13BrClNO2/c13-8-1-2-10(11(14)5-8)12(17)15-6-7-3-9(16)4-7/h1-2,5,7,9,16H,3-4,6H2,(H,15,17)
InChIKeyHLHXGKLILULAPK-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
5-chloro-2-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005764
5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004553
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107939665
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107724816

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide (CID 66006638) is 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1CC(O)C1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is HLHXGKLILULAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-8-1-2-10(11(14)5-8)12(17)15-6-7-3-9(16)4-7/h1-2,5,7,9,16H,3-4,6H2,(H,15,17).
What are the key properties of 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 318.60 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 66006638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).