N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C19H18N2O — CID 113203609

IUPACN-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C19H18N2O/c22-19(20-14-6-2-1-3-7-14)13-10-11-18-16(12-13)15-8-4-5-9-17(15)21-18/h1-9,13,21H,10-12H2,(H,20,22)
InChIKeyQRXNCHZRHFYFGV-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.91
Rot. Bonds2

About N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203609) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203609
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C19H18N2O/c22-19(20-14-6-2-1-3-7-14)13-10-11-18-16(12-13)15-8-4-5-9-17(15)21-18/h1-9,13,21H,10-12H2,(H,20,22)
InChIKeyQRXNCHZRHFYFGV-UHFFFAOYSA-N
XLogP3.91
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203621
N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203525
N-(3-chloro-2-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203629
N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203527
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612984
N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 59626250
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 156776164
N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612967
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203609) is N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is O=C(Nc1ccccc1)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is QRXNCHZRHFYFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19(20-14-6-2-1-3-7-14)13-10-11-18-16(12-13)15-8-4-5-9-17(15)21-18/h1-9,13,21H,10-12H2,(H,20,22).
What are the key properties of N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).