3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide

C12H13BrClNO2 — CID 107939665

IUPAC3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H13BrClNO2/c13-9-3-8(4-10(14)5-9)12(17)15-6-7-1-11(16)2-7/h3-5,7,11,16H,1-2,6H2,(H,15,17)
InChIKeyWJEMEHATZVLANV-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.60
Rot. Bonds3

About 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide

3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide (PubChem CID 107939665) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
PubChem CID107939665
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1CC(O)C1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H13BrClNO2/c13-9-3-8(4-10(14)5-9)12(17)15-6-7-1-11(16)2-7/h3-5,7,11,16H,1-2,6H2,(H,15,17)
InChIKeyWJEMEHATZVLANV-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

3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide
CID 106133086
2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66004828
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006638
3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103827007
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-(thian-2-ylmethyl)benzamide
CID 114020072
3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide
CID 103826611
3-bromo-5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 103827085
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
3-bromo-5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103827212
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide (CID 107939665) is 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1CC(O)C1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is WJEMEHATZVLANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-9-3-8(4-10(14)5-9)12(17)15-6-7-1-11(16)2-7/h3-5,7,11,16H,1-2,6H2,(H,15,17).
What are the key properties of 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide?
3-bromo-5-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 3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 107939665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).