N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide

C21H22IN3O — CID 67628262

IUPACN-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide
SMILESCCC1Cc2c([nH]c3ccc(NC(=O)c4ccc(I)cc4)cc23)C(N)C1
InChIInChI=1S/C21H22IN3O/c1-2-12-9-17-16-11-15(7-8-19(16)25-20(17)18(23)10-12)24-21(26)13-3-5-14(22)6-4-13/h3-8,11-12,18,25H,2,9-10,23H2,1H3,(H,24,26)
InChIKeyAOFHYIUSGPVQIK-UHFFFAOYSA-N
MW459.33 g/mol
LogP5.00
Rot. Bonds3

About N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide

N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide (PubChem CID 67628262) has the molecular formula C21H22IN3O and a molecular weight of 459.33 g/mol. Its IUPAC name is N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide
PubChem CID67628262
Molecular FormulaC21H22IN3O
Molecular Weight459.33 g/mol
Exact Mass459.08
IUPAC NameN-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide
SMILESCCC1Cc2c([nH]c3ccc(NC(=O)c4ccc(I)cc4)cc23)C(N)C1
InChIInChI=1S/C21H22IN3O/c1-2-12-9-17-16-11-15(7-8-19(16)25-20(17)18(23)10-12)24-21(26)13-3-5-14(22)6-4-13/h3-8,11-12,18,25H,2,9-10,23H2,1H3,(H,24,26)
InChIKeyAOFHYIUSGPVQIK-UHFFFAOYSA-N
XLogP5.00
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-iodobenzamide
CID 22611388
8-amino-6-propyl-6,7,8,9-tetrahydro-5H-carbazol-3-ol
CID 67638542
N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride
CID 70157355
4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide
CID 54470636
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
CID 22611338
N-(3-amino-4-ethylphenyl)-4-iodobenzamide
CID 43550217
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;oxalic acid
CID 22611378
N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide
CID 18972117
[8-amino-6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-(4-nitrophenyl)methanone
CID 67626637
ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 54344220

Frequently Asked Questions

What is the IUPAC name of N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide?
The IUPAC name of N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide (CID 67628262) is N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide.
What is the SMILES notation for N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide?
The canonical SMILES for N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide is CCC1Cc2c([nH]c3ccc(NC(=O)c4ccc(I)cc4)cc23)C(N)C1.
What is the InChIKey of N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide?
The InChIKey is AOFHYIUSGPVQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22IN3O/c1-2-12-9-17-16-11-15(7-8-19(16)25-20(17)18(23)10-12)24-21(26)13-3-5-14(22)6-4-13/h3-8,11-12,18,25H,2,9-10,23H2,1H3,(H,24,26).
What are the key properties of N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide?
N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide has a molecular weight of 459.33 g/mol, XLogP of 5.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-6-ethyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-iodobenzamide is sourced from PubChem (CID 67628262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).