N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide

C24H22Br2N2O3 — CID 46853445

IUPACN-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C(C)=O)c1
InChIInChI=1S/C24H22Br2N2O3/c1-15(29)27(18-4-3-5-20(12-18)31-2)13-19(30)14-28-23-8-6-16(25)10-21(23)22-11-17(26)7-9-24(22)28/h3-12,19,30H,13-14H2,1-2H3
InChIKeyYUWOISVEODOYRL-UHFFFAOYSA-N
MW546.26 g/mol
LogP5.74
Rot. Bonds6

About N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide

N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 46853445) has the molecular formula C24H22Br2N2O3 and a molecular weight of 546.26 g/mol. Its IUPAC name is N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide
PubChem CID46853445
Molecular FormulaC24H22Br2N2O3
Molecular Weight546.26 g/mol
Exact Mass544.00
IUPAC NameN-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C(C)=O)c1
InChIInChI=1S/C24H22Br2N2O3/c1-15(29)27(18-4-3-5-20(12-18)31-2)13-19(30)14-28-23-8-6-16(25)10-21(23)22-11-17(26)7-9-24(22)28/h3-12,19,30H,13-14H2,1-2H3
InChIKeyYUWOISVEODOYRL-UHFFFAOYSA-N
XLogP5.74
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.26
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide (CID 46853445) is N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C(C)=O)c1.
What is the InChIKey of N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is YUWOISVEODOYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N2O3/c1-15(29)27(18-4-3-5-20(12-18)31-2)13-19(30)14-28-23-8-6-16(25)10-21(23)22-11-17(26)7-9-24(22)28/h3-12,19,30H,13-14H2,1-2H3.
What are the key properties of N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide?
N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 546.26 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 46853445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).