5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide

C12H13BrClNO2 — CID 107730444

IUPAC5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
SMILESO=C(NCC1(CCl)CC1)c1cc(Br)ccc1O
InChIInChI=1S/C12H13BrClNO2/c13-8-1-2-10(16)9(5-8)11(17)15-7-12(6-14)3-4-12/h1-2,5,16H,3-4,6-7H2,(H,15,17)
InChIKeyIIPGBONRNFBMSO-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.90
Rot. Bonds4

About 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide

5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide (PubChem CID 107730444) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
PubChem CID107730444
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
SMILESO=C(NCC1(CCl)CC1)c1cc(Br)ccc1O
InChIInChI=1S/C12H13BrClNO2/c13-8-1-2-10(16)9(5-8)11(17)15-7-12(6-14)3-4-12/h1-2,5,16H,3-4,6-7H2,(H,15,17)
InChIKeyIIPGBONRNFBMSO-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 115455960
2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107941305
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide
CID 113294792
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 103747166
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylbenzamide
CID 107984007
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-5-(trifluoromethyl)benzamide
CID 115455978

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide (CID 107730444) is 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide is O=C(NCC1(CCl)CC1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide?
The InChIKey is IIPGBONRNFBMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-8-1-2-10(16)9(5-8)11(17)15-7-12(6-14)3-4-12/h1-2,5,16H,3-4,6-7H2,(H,15,17).
What are the key properties of 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide?
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide has a molecular weight of 318.60 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide is sourced from PubChem (CID 107730444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).