N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide

C18H21ClN2O — CID 10519515

IUPACN-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCn1c2c(c3cc(Cl)ccc31)C(CNC(=O)C1CC1)CCC2
InChIInChI=1S/C18H21ClN2O/c1-21-15-8-7-13(19)9-14(15)17-12(3-2-4-16(17)21)10-20-18(22)11-5-6-11/h7-9,11-12H,2-6,10H2,1H3,(H,20,22)
InChIKeyTZXLCUDXKXOJQB-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.78
Rot. Bonds3

About N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide

N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 10519515) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide
PubChem CID10519515
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCn1c2c(c3cc(Cl)ccc31)C(CNC(=O)C1CC1)CCC2
InChIInChI=1S/C18H21ClN2O/c1-21-15-8-7-13(19)9-14(15)17-12(3-2-4-16(17)21)10-20-18(22)11-5-6-11/h7-9,11-12H,2-6,10H2,1H3,(H,20,22)
InChIKeyTZXLCUDXKXOJQB-UHFFFAOYSA-N
XLogP3.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide (CID 10519515) is N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide is Cn1c2c(c3cc(Cl)ccc31)C(CNC(=O)C1CC1)CCC2.
What is the InChIKey of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is TZXLCUDXKXOJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-21-15-8-7-13(19)9-14(15)17-12(3-2-4-16(17)21)10-20-18(22)11-5-6-11/h7-9,11-12H,2-6,10H2,1H3,(H,20,22).
What are the key properties of N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide?
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 316.83 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 10519515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).