N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide

C14H20BrNO3 — CID 106255765

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H20BrNO3/c1-3-14(4-2,8-15)9-16-13(19)10-5-11(17)7-12(18)6-10/h5-7,17-18H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyQFANRUKZVMGXML-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide

N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide (PubChem CID 106255765) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide
PubChem CID106255765
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H20BrNO3/c1-3-14(4-2,8-15)9-16-13(19)10-5-11(17)7-12(18)6-10/h5-7,17-18H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyQFANRUKZVMGXML-UHFFFAOYSA-N
XLogP3.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806
N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide
CID 106254903
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 114164719
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-3-methylbenzamide
CID 106255744
N-[2-(bromomethyl)-2-ethylbutyl]-3-methoxy-4-methylbenzamide
CID 106255437
N-[2-(bromomethyl)-2-ethylbutyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106255706
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
N-[2-(bromomethyl)-2-ethylbutyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114164791
N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
CID 114148875
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
CID 106255574
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluoro-5-methylbenzamide
CID 106254991
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide (CID 106255765) is N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide is CCC(CC)(CBr)CNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide?
The InChIKey is QFANRUKZVMGXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-14(4-2,8-15)9-16-13(19)10-5-11(17)7-12(18)6-10/h5-7,17-18H,3-4,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide?
N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-ethylbutyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 106255765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).