3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide

C23H21BrN2O — CID 3260745

IUPAC3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide
SMILESCCn1c2ccccc2c2cc(C(C)NC(=O)c3cccc(Br)c3)ccc21
InChIInChI=1S/C23H21BrN2O/c1-3-26-21-10-5-4-9-19(21)20-14-16(11-12-22(20)26)15(2)25-23(27)17-7-6-8-18(24)13-17/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyJNCSPGFIYLZJMD-UHFFFAOYSA-N
MW421.34 g/mol
LogP6.07
Rot. Bonds4

About 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide

3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide (PubChem CID 3260745) has the molecular formula C23H21BrN2O and a molecular weight of 421.34 g/mol. Its IUPAC name is 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide
PubChem CID3260745
Molecular FormulaC23H21BrN2O
Molecular Weight421.34 g/mol
Exact Mass420.08
IUPAC Name3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide
SMILESCCn1c2ccccc2c2cc(C(C)NC(=O)c3cccc(Br)c3)ccc21
InChIInChI=1S/C23H21BrN2O/c1-3-26-21-10-5-4-9-19(21)20-14-16(11-12-22(20)26)15(2)25-23(27)17-7-6-8-18(24)13-17/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyJNCSPGFIYLZJMD-UHFFFAOYSA-N
XLogP6.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.34
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
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N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
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3-butan-2-yl-9-ethylcarbazole
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methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
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N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 35740949
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide (CID 3260745) is 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide is CCn1c2ccccc2c2cc(C(C)NC(=O)c3cccc(Br)c3)ccc21.
What is the InChIKey of 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide?
The InChIKey is JNCSPGFIYLZJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O/c1-3-26-21-10-5-4-9-19(21)20-14-16(11-12-22(20)26)15(2)25-23(27)17-7-6-8-18(24)13-17/h4-15H,3H2,1-2H3,(H,25,27).
What are the key properties of 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide?
3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide has a molecular weight of 421.34 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(9-ethylcarbazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 3260745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).