N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide

C22H20N2O2 — CID 3297671

IUPACN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cc2ccccc2o1
InChIInChI=1S/C22H20N2O2/c25-22(21-12-15-5-1-4-8-20(15)26-21)23-13-14-9-10-19-17(11-14)16-6-2-3-7-18(16)24-19/h1,4-5,8-12,24H,2-3,6-7,13H2,(H,23,25)
InChIKeyGOMSGADTWHFDRB-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.72
Rot. Bonds3

About N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide

N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 3297671) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID3297671
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cc2ccccc2o1
InChIInChI=1S/C22H20N2O2/c25-22(21-12-15-5-1-4-8-20(15)26-21)23-13-14-9-10-19-17(11-14)16-6-2-3-7-18(16)24-19/h1,4-5,8-12,24H,2-3,6-7,13H2,(H,23,25)
InChIKeyGOMSGADTWHFDRB-UHFFFAOYSA-N
XLogP4.72
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 4612444
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 8990549
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
1-methyl-6-oxo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyridazine-3-carboxamide
CID 56875329
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117362582
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4997944
1-(3-chlorophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CID 5082908

Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide (CID 3297671) is N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide is O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cc2ccccc2o1.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is GOMSGADTWHFDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-22(21-12-15-5-1-4-8-20(15)26-21)23-13-14-9-10-19-17(11-14)16-6-2-3-7-18(16)24-19/h1,4-5,8-12,24H,2-3,6-7,13H2,(H,23,25).
What are the key properties of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3297671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).