9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide

C19H25FN2O — CID 57396030

IUPAC9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C19H25FN2O/c1-13(2)21(3)19(23)15-8-6-10-17-18(15)14-7-4-5-9-16(14)22(17)12-11-20/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3
InChIKeyBPGOUCVJJZHKQE-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.90
Rot. Bonds4

About 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide

9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57396030) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57396030
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C19H25FN2O/c1-13(2)21(3)19(23)15-8-6-10-17-18(15)14-7-4-5-9-16(14)22(17)12-11-20/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3
InChIKeyBPGOUCVJJZHKQE-UHFFFAOYSA-N
XLogP3.90
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57396030) is 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CC(C)N(C)C(=O)C1CCCc2c1c1ccccc1n2CCF.
What is the InChIKey of 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is BPGOUCVJJZHKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-13(2)21(3)19(23)15-8-6-10-17-18(15)14-7-4-5-9-16(14)22(17)12-11-20/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3.
What are the key properties of 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 316.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoroethyl)-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57396030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).