5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide

C12H16BrNO3 — CID 65311466

IUPAC5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H16BrNO3/c1-9-2-3-10(13)8-11(9)12(17)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7H2,1H3
InChIKeyQAJYYUHYLKNIPD-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.18
Rot. Bonds5

About 5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide

5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 65311466) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
PubChem CID65311466
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H16BrNO3/c1-9-2-3-10(13)8-11(9)12(17)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7H2,1H3
InChIKeyQAJYYUHYLKNIPD-UHFFFAOYSA-N
XLogP1.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116
5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60967608
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide (CID 65311466) is 5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)N(CCO)CCO.
What is the InChIKey of 5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is QAJYYUHYLKNIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-9-2-3-10(13)8-11(9)12(17)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7H2,1H3.
What are the key properties of 5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide?
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 302.17 g/mol, XLogP of 1.18, 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-bis(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 65311466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).