3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide

C13H17BrClNO2 — CID 103842867

IUPAC3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClNO2/c1-4-16(8-13(2,3)18)12(17)9-5-6-11(15)10(14)7-9/h5-7,18H,4,8H2,1-3H3
InChIKeyQTEMFHHTWJCXSF-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.34
Rot. Bonds4

About 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide

3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 103842867) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID103842867
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClNO2/c1-4-16(8-13(2,3)18)12(17)9-5-6-11(15)10(14)7-9/h5-7,18H,4,8H2,1-3H3
InChIKeyQTEMFHHTWJCXSF-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
CID 107999335
3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107999420
2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide
CID 79381069
4-(3-aminoprop-1-ynyl)-3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 81293842
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999143
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429
4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384782

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide (CID 103842867) is 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(C)O)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is QTEMFHHTWJCXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-4-16(8-13(2,3)18)12(17)9-5-6-11(15)10(14)7-9/h5-7,18H,4,8H2,1-3H3.
What are the key properties of 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 103842867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).