4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide

C14H20BrNO3 — CID 111433738

IUPAC4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide
SMILESCC(O)CCNC(=O)c1ccc(Br)cc1OC(C)C
InChIInChI=1S/C14H20BrNO3/c1-9(2)19-13-8-11(15)4-5-12(13)14(18)16-7-6-10(3)17/h4-5,8-10,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyLTAWXFRZZLKDTG-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.74
Rot. Bonds6

About 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide

4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide (PubChem CID 111433738) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide
PubChem CID111433738
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide
SMILESCC(O)CCNC(=O)c1ccc(Br)cc1OC(C)C
InChIInChI=1S/C14H20BrNO3/c1-9(2)19-13-8-11(15)4-5-12(13)14(18)16-7-6-10(3)17/h4-5,8-10,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyLTAWXFRZZLKDTG-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromo-2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119234529
4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
CID 107300567
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide
CID 120504701
4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride
CID 119555844
4-bromo-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-propan-2-yloxybenzamide
CID 56578408
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide
CID 60579665
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-N-(3-bromobutyl)-2-methylbenzamide
CID 114312653
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
4-bromo-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-propan-2-yloxybenzamide
CID 60580011

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide?
The IUPAC name of 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide (CID 111433738) is 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide is CC(O)CCNC(=O)c1ccc(Br)cc1OC(C)C.
What is the InChIKey of 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide?
The InChIKey is LTAWXFRZZLKDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-9(2)19-13-8-11(15)4-5-12(13)14(18)16-7-6-10(3)17/h4-5,8-10,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide?
4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 111433738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).