(4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide

C19H25FN2O — CID 118731302

IUPAC(4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C19H25FN2O/c1-3-21(4-2)19(23)15-9-7-11-17-18(15)14-8-5-6-10-16(14)22(17)13-12-20/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyXICRODIMJLZTJP-HNNXBMFYSA-N
MW316.42 g/mol
LogP3.90
Rot. Bonds5

About (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide

(4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 118731302) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID118731302
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name(4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C19H25FN2O/c1-3-21(4-2)19(23)15-9-7-11-17-18(15)14-8-5-6-10-16(14)22(17)13-12-20/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyXICRODIMJLZTJP-HNNXBMFYSA-N
XLogP3.90
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 118731302) is (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCN(CC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF.
What is the InChIKey of (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is XICRODIMJLZTJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-3-21(4-2)19(23)15-9-7-11-17-18(15)14-8-5-6-10-16(14)22(17)13-12-20/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
(4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 316.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N-diethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 118731302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).