N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide

C19H20Br2N2O3 — CID 46851716

IUPACN-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide
SMILESCC(=O)NCCOCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H20Br2N2O3/c1-12(24)22-6-7-26-11-15(25)10-23-18-4-2-13(20)8-16(18)17-9-14(21)3-5-19(17)23/h2-5,8-9,15,25H,6-7,10-11H2,1H3,(H,22,24)
InChIKeyCQANXQNQVSKMDW-UHFFFAOYSA-N
MW484.19 g/mol
LogP3.83
Rot. Bonds7

About N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide

N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide (PubChem CID 46851716) has the molecular formula C19H20Br2N2O3 and a molecular weight of 484.19 g/mol. Its IUPAC name is N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide
PubChem CID46851716
Molecular FormulaC19H20Br2N2O3
Molecular Weight484.19 g/mol
Exact Mass481.98
IUPAC NameN-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide
SMILESCC(=O)NCCOCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H20Br2N2O3/c1-12(24)22-6-7-26-11-15(25)10-23-18-4-2-13(20)8-16(18)17-9-14(21)3-5-19(17)23/h2-5,8-9,15,25H,6-7,10-11H2,1H3,(H,22,24)
InChIKeyCQANXQNQVSKMDW-UHFFFAOYSA-N
XLogP3.83
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.19
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide?
The IUPAC name of N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide (CID 46851716) is N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide is CC(=O)NCCOCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide?
The InChIKey is CQANXQNQVSKMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O3/c1-12(24)22-6-7-26-11-15(25)10-23-18-4-2-13(20)8-16(18)17-9-14(21)3-5-19(17)23/h2-5,8-9,15,25H,6-7,10-11H2,1H3,(H,22,24).
What are the key properties of N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide?
N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide has a molecular weight of 484.19 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropoxy]ethyl]acetamide is sourced from PubChem (CID 46851716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).