5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide

C15H22BrNO2 — CID 103725574

IUPAC5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
SMILESCCCC(CCO)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H22BrNO2/c1-3-4-12(7-8-18)10-17-15(19)14-9-13(16)6-5-11(14)2/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeySMUGDPSBQWSXIZ-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.29
Rot. Bonds7

About 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide

5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide (PubChem CID 103725574) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
PubChem CID103725574
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
SMILESCCCC(CCO)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H22BrNO2/c1-3-4-12(7-8-18)10-17-15(19)14-9-13(16)6-5-11(14)2/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeySMUGDPSBQWSXIZ-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide
CID 111697393
N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
CID 103722758
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 111697266
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
CID 115648997
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
CID 65311918

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide (CID 103725574) is 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide is CCCC(CCO)CNC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide?
The InChIKey is SMUGDPSBQWSXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-4-12(7-8-18)10-17-15(19)14-9-13(16)6-5-11(14)2/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide?
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide has a molecular weight of 328.25 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide is sourced from PubChem (CID 103725574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).