5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine

C15H25BrN2O2 — CID 157374545

IUPAC5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine
SMILESCCN(CC)C(=O)c1cc(Br)ccc1O.CCNCC
InChIInChI=1S/C11H14BrNO2.C4H11N/c1-3-13(4-2)11(15)9-7-8(12)5-6-10(9)14;1-3-5-4-2/h5-7,14H,3-4H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyBKDXYUHORSOHIC-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.25
Rot. Bonds5

About 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine

5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine (PubChem CID 157374545) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine
PubChem CID157374545
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine
SMILESCCN(CC)C(=O)c1cc(Br)ccc1O.CCNCC
InChIInChI=1S/C11H14BrNO2.C4H11N/c1-3-13(4-2)11(15)9-7-8(12)5-6-10(9)14;1-3-5-4-2/h5-7,14H,3-4H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyBKDXYUHORSOHIC-UHFFFAOYSA-N
XLogP3.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[(5-bromo-2-hydroxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107729348
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103280942
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
3-[(4-bromo-2-methylbenzoyl)-ethylamino]propanoic acid
CID 54898490
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 112790012
N-(3-amino-3-hydroxyiminopropyl)-4-bromo-N-ethyl-2-hydroxybenzamide
CID 76922764
2-[(5-bromo-2-hydroxybenzoyl)-prop-2-enylamino]acetic acid
CID 107729428
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine?
The IUPAC name of 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine (CID 157374545) is 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine.
What is the SMILES notation for 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine?
The canonical SMILES for 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine is CCN(CC)C(=O)c1cc(Br)ccc1O.CCNCC.
What is the InChIKey of 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine?
The InChIKey is BKDXYUHORSOHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2.C4H11N/c1-3-13(4-2)11(15)9-7-8(12)5-6-10(9)14;1-3-5-4-2/h5-7,14H,3-4H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine?
5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine has a molecular weight of 345.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine is sourced from PubChem (CID 157374545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).