4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide

C14H20BrNO2 — CID 103873277

IUPAC4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)c(O)c1)C(C)(C)C
InChIInChI=1S/C14H20BrNO2/c1-9(14(2,3)4)8-16-13(18)10-5-6-11(15)12(17)7-10/h5-7,9,17H,8H2,1-4H3,(H,16,18)
InChIKeyOVVMOAOQAJCBAN-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.57
Rot. Bonds3

About 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide

4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 103873277) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID103873277
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)c(O)c1)C(C)(C)C
InChIInChI=1S/C14H20BrNO2/c1-9(14(2,3)4)8-16-13(18)10-5-6-11(15)12(17)7-10/h5-7,9,17H,8H2,1-4H3,(H,16,18)
InChIKeyOVVMOAOQAJCBAN-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
CID 83143162
2-bromo-5-(2,3,3-trimethylbutylcarbamoyl)benzenesulfonyl chloride
CID 83145232
4-bromo-3-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965821
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide
CID 78965757
4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103830624
5-[(4-bromo-3-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114103351
4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113342883
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
(2R)-2-[(4-bromo-3-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 114103357
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
2-[(4-bromo-3-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 114103388
3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 104852960

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide (CID 103873277) is 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide is CC(CNC(=O)c1ccc(Br)c(O)c1)C(C)(C)C.
What is the InChIKey of 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is OVVMOAOQAJCBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9(14(2,3)4)8-16-13(18)10-5-6-11(15)12(17)7-10/h5-7,9,17H,8H2,1-4H3,(H,16,18).
What are the key properties of 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide?
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 314.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 103873277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).