6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C17H21ClN2O — CID 2859649

IUPAC6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C17H21ClN2O/c1-3-20(4-2)17(21)13-7-5-6-12-14-10-11(18)8-9-15(14)19-16(12)13/h8-10,13,19H,3-7H2,1-2H3
InChIKeyMHHOOEQCZIIIGO-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 2859649) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID2859649
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C17H21ClN2O/c1-3-20(4-2)17(21)13-7-5-6-12-14-10-11(18)8-9-15(14)19-16(12)13/h8-10,13,19H,3-7H2,1-2H3
InChIKeyMHHOOEQCZIIIGO-UHFFFAOYSA-N
XLogP4.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 2859649) is 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is CCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is MHHOOEQCZIIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-20(4-2)17(21)13-7-5-6-12-14-10-11(18)8-9-15(14)19-16(12)13/h8-10,13,19H,3-7H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 304.82 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 2859649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).