N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H21N3O2 — CID 27258967

IUPACN-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1
InChIInChI=1S/C21H21N3O2/c1-13(25)22-15-5-4-6-16(12-15)23-21(26)14-9-10-20-18(11-14)17-7-2-3-8-19(17)24-20/h4-6,9-12,24H,2-3,7-8H2,1H3,(H,22,25)(H,23,26)
InChIKeyWRNNFZSPEXRISP-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.26
Rot. Bonds3

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

N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 27258967) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID27258967
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1
InChIInChI=1S/C21H21N3O2/c1-13(25)22-15-5-4-6-16(12-15)23-21(26)14-9-10-20-18(11-14)17-7-2-3-8-19(17)24-20/h4-6,9-12,24H,2-3,7-8H2,1H3,(H,22,25)(H,23,26)
InChIKeyWRNNFZSPEXRISP-UHFFFAOYSA-N
XLogP4.26
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26122569
N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46809541
3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760
N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 33498777
N-(1-propan-2-ylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71933883
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
CID 166220279
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42239539
N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
CID 47027656
2-methylsulfanyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrimidine-5-carboxamide
CID 16676147
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 27258967) is N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1.
What is the InChIKey of N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is WRNNFZSPEXRISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(25)22-15-5-4-6-16(12-15)23-21(26)14-9-10-20-18(11-14)17-7-2-3-8-19(17)24-20/h4-6,9-12,24H,2-3,7-8H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 27258967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).