N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide

C15H20BrNO3 — CID 88915095

IUPACN-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide
SMILESCCCCC(Br)C(=O)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C15H20BrNO3/c1-4-5-6-13(16)15(19)12-9-11(17-10(2)18)7-8-14(12)20-3/h7-9,13H,4-6H2,1-3H3,(H,17,18)
InChIKeyAHCQLVFRBPEERG-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.79
Rot. Bonds7

About N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide

N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide (PubChem CID 88915095) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide
PubChem CID88915095
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide
SMILESCCCCC(Br)C(=O)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C15H20BrNO3/c1-4-5-6-13(16)15(19)12-9-11(17-10(2)18)7-8-14(12)20-3/h7-9,13H,4-6H2,1-3H3,(H,17,18)
InChIKeyAHCQLVFRBPEERG-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide
CID 82489606
N-(5-acetamido-2-methoxyphenyl)-2-aminohexanamide
CID 60853865
(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide
CID 100726850
N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide
CID 22457109
5-acetamido-N-(cyanomethyl)-2-methoxybenzamide
CID 82479761
(2,6-dimethoxyphenyl) (2R)-2-bromohexanoate
CID 129365299
3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43339711
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]acetamide
CID 110764459
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 115443247
N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide (CID 88915095) is N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide is CCCCC(Br)C(=O)c1cc(NC(C)=O)ccc1OC.
What is the InChIKey of N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide?
The InChIKey is AHCQLVFRBPEERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-4-5-6-13(16)15(19)12-9-11(17-10(2)18)7-8-14(12)20-3/h7-9,13H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide?
N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide has a molecular weight of 342.23 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 88915095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).