2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide

C20H19FN2O — CID 84580171

IUPAC2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C20H19FN2O/c21-14-7-5-13(6-8-14)11-20(24)22-15-9-10-17-16-3-1-2-4-18(16)23-19(17)12-15/h1-8,15,23H,9-12H2,(H,22,24)
InChIKeyPJUNQMLVUXEQKC-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.52
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide

2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide (PubChem CID 84580171) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
PubChem CID84580171
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C20H19FN2O/c21-14-7-5-13(6-8-14)11-20(24)22-15-9-10-17-16-3-1-2-4-18(16)23-19(17)12-15/h1-8,15,23H,9-12H2,(H,22,24)
InChIKeyPJUNQMLVUXEQKC-UHFFFAOYSA-N
XLogP3.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.52
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

2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)naphthalene-1-carboxamide
CID 84579674
3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84582066
2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84580106
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 113097150
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
CID 84580220
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582022

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide (CID 84580171) is 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide is O=C(Cc1ccc(F)cc1)NC1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
The InChIKey is PJUNQMLVUXEQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c21-14-7-5-13(6-8-14)11-20(24)22-15-9-10-17-16-3-1-2-4-18(16)23-19(17)12-15/h1-8,15,23H,9-12H2,(H,22,24).
What are the key properties of 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide?
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide has a molecular weight of 322.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide is sourced from PubChem (CID 84580171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).