N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C15H16ClN3O2 — CID 609412

IUPACN-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESNC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C15H16ClN3O2/c16-8-4-5-12-11(6-8)9-2-1-3-10(14(9)19-12)15(21)18-7-13(17)20/h4-6,10,19H,1-3,7H2,(H2,17,20)(H,18,21)
InChIKeyZAAGFGBXXRJPBY-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.84
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 609412) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID609412
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC NameN-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESNC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C15H16ClN3O2/c16-8-4-5-12-11(6-8)9-2-1-3-10(14(9)19-12)15(21)18-7-13(17)20/h4-6,10,19H,1-3,7H2,(H2,17,20)(H,18,21)
InChIKeyZAAGFGBXXRJPBY-UHFFFAOYSA-N
XLogP1.84
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 609412) is N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is NC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is ZAAGFGBXXRJPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-8-4-5-12-11(6-8)9-2-1-3-10(14(9)19-12)15(21)18-7-13(17)20/h4-6,10,19H,1-3,7H2,(H2,17,20)(H,18,21).
What are the key properties of N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 609412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).