4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide

C12H13BrClNO2 — CID 81296219

IUPAC4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
SMILESO=C(NCC(O)C1CC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H13BrClNO2/c13-9-4-3-8(5-10(9)14)12(17)15-6-11(16)7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H,15,17)
InChIKeyRWRBPNGEGPARIX-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.60
Rot. Bonds4

About 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide

4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide (PubChem CID 81296219) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
PubChem CID81296219
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
SMILESO=C(NCC(O)C1CC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H13BrClNO2/c13-9-4-3-8(5-10(9)14)12(17)15-6-11(16)7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H,15,17)
InChIKeyRWRBPNGEGPARIX-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
CID 63294592
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
CID 63295326
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
CID 55257824
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide (CID 81296219) is 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide is O=C(NCC(O)C1CC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
The InChIKey is RWRBPNGEGPARIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-9-4-3-8(5-10(9)14)12(17)15-6-11(16)7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H,15,17).
What are the key properties of 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide?
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide has a molecular weight of 318.60 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide is sourced from PubChem (CID 81296219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).