N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide

C28H24N2O — CID 173145422

IUPACN-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C28H24N2O/c1-19(23-11-7-12-25-24-10-5-6-13-26(24)30-28(23)25)29-27(31)18-20-14-16-22(17-15-20)21-8-3-2-4-9-21/h2-17,19,30H,18H2,1H3,(H,29,31)
InChIKeyZMCGDUDBFWWDMP-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.41
Rot. Bonds5

About N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide

N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 173145422) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID173145422
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC NameN-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C28H24N2O/c1-19(23-11-7-12-25-24-10-5-6-13-26(24)30-28(23)25)29-27(31)18-20-14-16-22(17-15-20)21-8-3-2-4-9-21/h2-17,19,30H,18H2,1H3,(H,29,31)
InChIKeyZMCGDUDBFWWDMP-UHFFFAOYSA-N
XLogP6.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide (CID 173145422) is N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide is CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is ZMCGDUDBFWWDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-19(23-11-7-12-25-24-10-5-6-13-26(24)30-28(23)25)29-27(31)18-20-14-16-22(17-15-20)21-8-3-2-4-9-21/h2-17,19,30H,18H2,1H3,(H,29,31).
What are the key properties of N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide?
N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 6.41, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9H-carbazol-1-yl)ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 173145422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).