N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide

C13H17BrClNO2 — CID 114311603

IUPACN-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
SMILESCC(C)CC(CBr)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H17BrClNO2/c1-8(2)5-10(7-14)16-13(18)9-3-4-12(17)11(15)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18)
InChIKeySGCHUBQDVGOXCJ-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.59
Rot. Bonds5

About N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide

N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide (PubChem CID 114311603) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
PubChem CID114311603
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
SMILESCC(C)CC(CBr)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H17BrClNO2/c1-8(2)5-10(7-14)16-13(18)9-3-4-12(17)11(15)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18)
InChIKeySGCHUBQDVGOXCJ-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
N-(1-chloro-4-methylpentan-2-yl)-3,4-dihydroxybenzamide
CID 107729002
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide
CID 107975115
3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 103110763
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide (CID 114311603) is N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide is CC(C)CC(CBr)NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide?
The InChIKey is SGCHUBQDVGOXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-8(2)5-10(7-14)16-13(18)9-3-4-12(17)11(15)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18).
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide?
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide has a molecular weight of 334.64 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 114311603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).