4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide

C12H16BrNO3 — CID 67216147

IUPAC4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)CCO)ccc1Br
InChIInChI=1S/C12H16BrNO3/c1-3-17-11-8-9(4-5-10(11)13)12(16)14(2)6-7-15/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyBNCMWLVQKHFKPN-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.91
Rot. Bonds5

About 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide

4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 67216147) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID67216147
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)CCO)ccc1Br
InChIInChI=1S/C12H16BrNO3/c1-3-17-11-8-9(4-5-10(11)13)12(16)14(2)6-7-15/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyBNCMWLVQKHFKPN-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 67216049
ethyl 3-[(4-bromo-3-methylbenzoyl)-methylamino]propanoate
CID 112705954
1-(4-bromo-3-ethoxyphenyl)-3-chloropropan-1-one
CID 118819069
tert-butyl 4-bromo-3-ethoxybenzoate
CID 146034938
N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide
CID 65373100
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
CID 115673354
3-amino-4-bromo-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 55227519
4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 103873795
4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
CID 103957673

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide (CID 67216147) is 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)CCO)ccc1Br.
What is the InChIKey of 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is BNCMWLVQKHFKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-3-17-11-8-9(4-5-10(11)13)12(16)14(2)6-7-15/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide?
4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 302.17 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 67216147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).