N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide

C16H19ClN2O — CID 71826910

IUPACN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C16H19ClN2O/c1-9(2)16(20)18-13-8-4-6-11-10-5-3-7-12(17)14(10)19-15(11)13/h3,5,7,9,13,19H,4,6,8H2,1-2H3,(H,18,20)
InChIKeyVSAWGSGADATSMJ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.97
Rot. Bonds2

About N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide (PubChem CID 71826910) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide
PubChem CID71826910
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C16H19ClN2O/c1-9(2)16(20)18-13-8-4-6-11-10-5-3-7-12(17)14(10)19-15(11)13/h3,5,7,9,13,19H,4,6,8H2,1-2H3,(H,18,20)
InChIKeyVSAWGSGADATSMJ-UHFFFAOYSA-N
XLogP3.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide (CID 71826910) is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide is CC(C)C(=O)NC1CCCc2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide?
The InChIKey is VSAWGSGADATSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-9(2)16(20)18-13-8-4-6-11-10-5-3-7-12(17)14(10)19-15(11)13/h3,5,7,9,13,19H,4,6,8H2,1-2H3,(H,18,20).
What are the key properties of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide?
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide has a molecular weight of 290.79 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 71826910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).