N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide

C18H21ClN2O — CID 46098202

IUPACN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide
SMILESCc1cc(Cl)cc2c3c([nH]c12)CCC(NC(=O)CC1CC1)C3
InChIInChI=1S/C18H21ClN2O/c1-10-6-12(19)8-15-14-9-13(4-5-16(14)21-18(10)15)20-17(22)7-11-2-3-11/h6,8,11,13,21H,2-5,7,9H2,1H3,(H,20,22)
InChIKeyYKKBGNHFYVKBBA-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.90
Rot. Bonds3

About N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide

N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide (PubChem CID 46098202) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide
PubChem CID46098202
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide
SMILESCc1cc(Cl)cc2c3c([nH]c12)CCC(NC(=O)CC1CC1)C3
InChIInChI=1S/C18H21ClN2O/c1-10-6-12(19)8-15-14-9-13(4-5-16(14)21-18(10)15)20-17(22)7-11-2-3-11/h6,8,11,13,21H,2-5,7,9H2,1H3,(H,20,22)
InChIKeyYKKBGNHFYVKBBA-UHFFFAOYSA-N
XLogP3.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.90
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-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide?
The IUPAC name of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide (CID 46098202) is N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide.
What is the SMILES notation for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide?
The canonical SMILES for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide is Cc1cc(Cl)cc2c3c([nH]c12)CCC(NC(=O)CC1CC1)C3.
What is the InChIKey of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide?
The InChIKey is YKKBGNHFYVKBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-10-6-12(19)8-15-14-9-13(4-5-16(14)21-18(10)15)20-17(22)7-11-2-3-11/h6,8,11,13,21H,2-5,7,9H2,1H3,(H,20,22).
What are the key properties of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide?
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide has a molecular weight of 316.83 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide is sourced from PubChem (CID 46098202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).