2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide

C24H23BrN2O2 — CID 155537862

IUPAC2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C24H23BrN2O2/c1-3-26(15-17-7-6-8-19(13-17)29-2)24(28)16-27-22-10-5-4-9-20(22)21-14-18(25)11-12-23(21)27/h4-14H,3,15-16H2,1-2H3
InChIKeyRGAIRSKRCFYXFB-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.61
Rot. Bonds6

About 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide

2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 155537862) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID155537862
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C24H23BrN2O2/c1-3-26(15-17-7-6-8-19(13-17)29-2)24(28)16-27-22-10-5-4-9-20(22)21-14-18(25)11-12-23(21)27/h4-14H,3,15-16H2,1-2H3
InChIKeyRGAIRSKRCFYXFB-UHFFFAOYSA-N
XLogP5.61
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide (CID 155537862) is 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide is CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is RGAIRSKRCFYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-3-26(15-17-7-6-8-19(13-17)29-2)24(28)16-27-22-10-5-4-9-20(22)21-14-18(25)11-12-23(21)27/h4-14H,3,15-16H2,1-2H3.
What are the key properties of 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide?
2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 451.36 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 155537862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).