2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide

C14H20BrNO3 — CID 125144555

IUPAC2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC[C@H](C)CCO)c1
InChIInChI=1S/C14H20BrNO3/c1-10(6-8-17)5-7-16-14(18)12-9-11(19-2)3-4-13(12)15/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyQZPKFKSULFCKHP-JTQLQIEISA-N
MW330.22 g/mol
LogP2.60
Rot. Bonds7

About 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide

2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide (PubChem CID 125144555) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
PubChem CID125144555
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC[C@H](C)CCO)c1
InChIInChI=1S/C14H20BrNO3/c1-10(6-8-17)5-7-16-14(18)12-9-11(19-2)3-4-13(12)15/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyQZPKFKSULFCKHP-JTQLQIEISA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
CID 99872851
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
CID 113276353
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide (CID 125144555) is 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCC[C@H](C)CCO)c1.
What is the InChIKey of 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide?
The InChIKey is QZPKFKSULFCKHP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-10(6-8-17)5-7-16-14(18)12-9-11(19-2)3-4-13(12)15/h3-4,9-10,17H,5-8H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide?
2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide is sourced from PubChem (CID 125144555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).