5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide

C14H21BrN2O2 — CID 103280942

IUPAC5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
SMILESCCN(C(=O)c1cc(Br)ccc1O)C(C)CN(C)C
InChIInChI=1S/C14H21BrN2O2/c1-5-17(10(2)9-16(3)4)14(19)12-8-11(15)6-7-13(12)18/h6-8,10,18H,5,9H2,1-4H3
InChIKeyQHKRNNMRAQLGGD-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.57
Rot. Bonds5

About 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide

5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide (PubChem CID 103280942) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
PubChem CID103280942
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
SMILESCCN(C(=O)c1cc(Br)ccc1O)C(C)CN(C)C
InChIInChI=1S/C14H21BrN2O2/c1-5-17(10(2)9-16(3)4)14(19)12-8-11(15)6-7-13(12)18/h6-8,10,18H,5,9H2,1-4H3
InChIKeyQHKRNNMRAQLGGD-UHFFFAOYSA-N
XLogP2.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103189268
3-[(5-bromo-2-hydroxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107729348
5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine
CID 157374545
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
CID 107729311
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47100210
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide
CID 103190086
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide (CID 103280942) is 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide is CCN(C(=O)c1cc(Br)ccc1O)C(C)CN(C)C.
What is the InChIKey of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide?
The InChIKey is QHKRNNMRAQLGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-5-17(10(2)9-16(3)4)14(19)12-8-11(15)6-7-13(12)18/h6-8,10,18H,5,9H2,1-4H3.
What are the key properties of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide?
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide has a molecular weight of 329.24 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 103280942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).