N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide

C19H28BrNO — CID 143191050

IUPACN-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Br)cc1C1CCCCCCC1
InChIInChI=1S/C19H28BrNO/c1-19(2,3)18(22)21-17-12-11-15(20)13-16(17)14-9-7-5-4-6-8-10-14/h11-14H,4-10H2,1-3H3,(H,21,22)
InChIKeySLNLGRWCFVNIRA-UHFFFAOYSA-N
MW366.34 g/mol
LogP6.26
Rot. Bonds2

About N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide

N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide (PubChem CID 143191050) has the molecular formula C19H28BrNO and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide
PubChem CID143191050
Molecular FormulaC19H28BrNO
Molecular Weight366.34 g/mol
Exact Mass365.14
IUPAC NameN-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Br)cc1C1CCCCCCC1
InChIInChI=1S/C19H28BrNO/c1-19(2,3)18(22)21-17-12-11-15(20)13-16(17)14-9-7-5-4-6-8-10-14/h11-14H,4-10H2,1-3H3,(H,21,22)
InChIKeySLNLGRWCFVNIRA-UHFFFAOYSA-N
XLogP6.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 82704318
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide (CID 143191050) is N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Br)cc1C1CCCCCCC1.
What is the InChIKey of N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide?
The InChIKey is SLNLGRWCFVNIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrNO/c1-19(2,3)18(22)21-17-12-11-15(20)13-16(17)14-9-7-5-4-6-8-10-14/h11-14H,4-10H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide?
N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide has a molecular weight of 366.34 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyclooctylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 143191050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).