2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide

C14H19BrN2O3 — CID 66108423

IUPAC2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
SMILESCC(CCO)CNC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-10(6-7-18)8-16-13(19)9-17-14(20)11-4-2-3-5-12(11)15/h2-5,10,18H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyDKHNKFIYAHRPLF-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.31
Rot. Bonds7

About 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide

2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide (PubChem CID 66108423) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
PubChem CID66108423
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
SMILESCC(CCO)CNC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-10(6-7-18)8-16-13(19)9-17-14(20)11-4-2-3-5-12(11)15/h2-5,10,18H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyDKHNKFIYAHRPLF-UHFFFAOYSA-N
XLogP1.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114305988
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2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
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1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111472557
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2-bromo-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
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CID 60748459
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CID 18272438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide (CID 66108423) is 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide is CC(CCO)CNC(=O)CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide?
The InChIKey is DKHNKFIYAHRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-10(6-7-18)8-16-13(19)9-17-14(20)11-4-2-3-5-12(11)15/h2-5,10,18H,6-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide?
2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide has a molecular weight of 343.22 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 66108423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).