1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C19H25ClN2O — CID 69188151

IUPAC1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCCNC(=O)c1cc(CCCCl)c2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C19H25ClN2O/c1-2-10-21-19(23)14-11-13(6-5-9-20)18-16(12-14)15-7-3-4-8-17(15)22-18/h11-12,22H,2-10H2,1H3,(H,21,23)
InChIKeyMWRMMUALGNADLP-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.36
Rot. Bonds6

About 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 69188151) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID69188151
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCCNC(=O)c1cc(CCCCl)c2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C19H25ClN2O/c1-2-10-21-19(23)14-11-13(6-5-9-20)18-16(12-14)15-7-3-4-8-17(15)22-18/h11-12,22H,2-10H2,1H3,(H,21,23)
InChIKeyMWRMMUALGNADLP-UHFFFAOYSA-N
XLogP4.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 69188151) is 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCCNC(=O)c1cc(CCCCl)c2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is MWRMMUALGNADLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-2-10-21-19(23)14-11-13(6-5-9-20)18-16(12-14)15-7-3-4-8-17(15)22-18/h11-12,22H,2-10H2,1H3,(H,21,23).
What are the key properties of 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 332.88 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 69188151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).