5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide

C13H15BrClNO2 — CID 90499338

IUPAC5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
SMILESCC(O)(CNC(=O)c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C13H15BrClNO2/c1-13(18,8-2-3-8)7-16-12(17)10-6-9(14)4-5-11(10)15/h4-6,8,18H,2-3,7H2,1H3,(H,16,17)
InChIKeyOCVCRLMJCJCCHP-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.99
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide

5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide (PubChem CID 90499338) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
PubChem CID90499338
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
SMILESCC(O)(CNC(=O)c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C13H15BrClNO2/c1-13(18,8-2-3-8)7-16-12(17)10-6-9(14)4-5-11(10)15/h4-6,8,18H,2-3,7H2,1H3,(H,16,17)
InChIKeyOCVCRLMJCJCCHP-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103709313
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-N-(2-cyclopropyl-2-hydroxypropyl)-2-hydroxy-5-methylbenzamide
CID 167543270
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 55105060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide (CID 90499338) is 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide is CC(O)(CNC(=O)c1cc(Br)ccc1Cl)C1CC1.
What is the InChIKey of 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide?
The InChIKey is OCVCRLMJCJCCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c1-13(18,8-2-3-8)7-16-12(17)10-6-9(14)4-5-11(10)15/h4-6,8,18H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide?
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide has a molecular weight of 332.63 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide is sourced from PubChem (CID 90499338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).