N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide

C17H19ClN2O — CID 46098197

IUPACN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C17H19ClN2O/c18-11-3-5-15-13(8-11)14-9-12(4-6-16(14)20-15)19-17(21)7-10-1-2-10/h3,5,8,10,12,20H,1-2,4,6-7,9H2,(H,19,21)
InChIKeyPOSGJQMXQFCLCT-UHFFFAOYSA-N
MW302.80 g/mol
LogP3.59
Rot. Bonds3

About N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide (PubChem CID 46098197) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide
PubChem CID46098197
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C17H19ClN2O/c18-11-3-5-15-13(8-11)14-9-12(4-6-16(14)20-15)19-17(21)7-10-1-2-10/h3,5,8,10,12,20H,1-2,4,6-7,9H2,(H,19,21)
InChIKeyPOSGJQMXQFCLCT-UHFFFAOYSA-N
XLogP3.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 53.59
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-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide?
The IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide (CID 46098197) is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide.
What is the SMILES notation for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide?
The canonical SMILES for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide is O=C(CC1CC1)NC1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide?
The InChIKey is POSGJQMXQFCLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-11-3-5-15-13(8-11)14-9-12(4-6-16(14)20-15)19-17(21)7-10-1-2-10/h3,5,8,10,12,20H,1-2,4,6-7,9H2,(H,19,21).
What are the key properties of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide?
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide has a molecular weight of 302.80 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide is sourced from PubChem (CID 46098197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).