N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide

C23H25FN2O — CID 71579682

IUPACN,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide
SMILESCCN(CC)C(=O)C1Cc2ccccc2-c2c1c1ccccc1n2CCF
InChIInChI=1S/C23H25FN2O/c1-3-25(4-2)23(27)19-15-16-9-5-6-10-17(16)22-21(19)18-11-7-8-12-20(18)26(22)14-13-24/h5-12,19H,3-4,13-15H2,1-2H3
InChIKeyOFCPAXGWSSAQNU-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.79
Rot. Bonds5

About N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide

N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide (PubChem CID 71579682) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide
PubChem CID71579682
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC NameN,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide
SMILESCCN(CC)C(=O)C1Cc2ccccc2-c2c1c1ccccc1n2CCF
InChIInChI=1S/C23H25FN2O/c1-3-25(4-2)23(27)19-15-16-9-5-6-10-17(16)22-21(19)18-11-7-8-12-20(18)26(22)14-13-24/h5-12,19H,3-4,13-15H2,1-2H3
InChIKeyOFCPAXGWSSAQNU-UHFFFAOYSA-N
XLogP4.79
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide?
The IUPAC name of N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide (CID 71579682) is N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide?
The canonical SMILES for N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide is CCN(CC)C(=O)C1Cc2ccccc2-c2c1c1ccccc1n2CCF.
What is the InChIKey of N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide?
The InChIKey is OFCPAXGWSSAQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-3-25(4-2)23(27)19-15-16-9-5-6-10-17(16)22-21(19)18-11-7-8-12-20(18)26(22)14-13-24/h5-12,19H,3-4,13-15H2,1-2H3.
What are the key properties of N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide?
N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide has a molecular weight of 364.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-11-(2-fluoroethyl)-5,6-dihydrobenzo[a]carbazole-6-carboxamide is sourced from PubChem (CID 71579682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).