N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide

C13H13ClN2O — CID 2840612

IUPACN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide
SMILESO=CNC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H13ClN2O/c14-8-4-5-11-10(6-8)9-2-1-3-12(15-7-17)13(9)16-11/h4-7,12,16H,1-3H2,(H,15,17)
InChIKeyPPQYDKFQHSINPX-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.94
Rot. Bonds2

About N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide (PubChem CID 2840612) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide.

Molecular Properties

Compound NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide
PubChem CID2840612
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide
SMILESO=CNC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H13ClN2O/c14-8-4-5-11-10(6-8)9-2-1-3-12(15-7-17)13(9)16-11/h4-7,12,16H,1-3H2,(H,15,17)
InChIKeyPPQYDKFQHSINPX-UHFFFAOYSA-N
XLogP2.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide?
The IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide (CID 2840612) is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide.
What is the SMILES notation for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide?
The canonical SMILES for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide is O=CNC1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide?
The InChIKey is PPQYDKFQHSINPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-8-4-5-11-10(6-8)9-2-1-3-12(15-7-17)13(9)16-11/h4-7,12,16H,1-3H2,(H,15,17).
What are the key properties of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide?
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide has a molecular weight of 248.71 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)formamide is sourced from PubChem (CID 2840612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).