3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

C13H15BrClNO2 — CID 104957596

IUPAC3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CCO)CC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15BrClNO2/c14-10-5-9(6-11(15)7-10)12(18)16-8-13(1-2-13)3-4-17/h5-7,17H,1-4,8H2,(H,16,18)
InChIKeyGWVBHFYDXBWGBA-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.99
Rot. Bonds5

About 3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (PubChem CID 104957596) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
PubChem CID104957596
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CCO)CC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15BrClNO2/c14-10-5-9(6-11(15)7-10)12(18)16-8-13(1-2-13)3-4-17/h5-7,17H,1-4,8H2,(H,16,18)
InChIKeyGWVBHFYDXBWGBA-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114096121
3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 107952216
3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide
CID 107940194
4-[[(3-bromo-5-chlorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 107938272
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 115453985
3-bromo-5-chloro-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 107952902
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 114751196
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (CID 104957596) is 3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is O=C(NCC1(CCO)CC1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The InChIKey is GWVBHFYDXBWGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-10-5-9(6-11(15)7-10)12(18)16-8-13(1-2-13)3-4-17/h5-7,17H,1-4,8H2,(H,16,18).
What are the key properties of 3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide has a molecular weight of 332.63 g/mol, XLogP of 2.99, 5 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-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 104957596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).