N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide

C21H20ClFN2O — CID 46098168

IUPACN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide
SMILESCc1cc(Cl)cc2c3c([nH]c12)CCC(NC(=O)Cc1ccccc1F)C3
InChIInChI=1S/C21H20ClFN2O/c1-12-8-14(22)10-17-16-11-15(6-7-19(16)25-21(12)17)24-20(26)9-13-4-2-3-5-18(13)23/h2-5,8,10,15,25H,6-7,9,11H2,1H3,(H,24,26)
InChIKeyAHRIJMIQUGGQDL-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.49
Rot. Bonds3

About N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide

N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 46098168) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide
PubChem CID46098168
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC NameN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide
SMILESCc1cc(Cl)cc2c3c([nH]c12)CCC(NC(=O)Cc1ccccc1F)C3
InChIInChI=1S/C21H20ClFN2O/c1-12-8-14(22)10-17-16-11-15(6-7-19(16)25-21(12)17)24-20(26)9-13-4-2-3-5-18(13)23/h2-5,8,10,15,25H,6-7,9,11H2,1H3,(H,24,26)
InChIKeyAHRIJMIQUGGQDL-UHFFFAOYSA-N
XLogP4.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.49
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

N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide
CID 46098102
N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 42656697
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
CID 92756876
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
methyl 4-[(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-4-oxobutanoate
CID 46095686
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
CID 113096971
2-(2-fluorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490622
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide
CID 92756889
(3R)-6,8-dichloro-3-[[(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-3-methylpentanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxylic acid
CID 68949661

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide (CID 46098168) is N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide is Cc1cc(Cl)cc2c3c([nH]c12)CCC(NC(=O)Cc1ccccc1F)C3.
What is the InChIKey of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is AHRIJMIQUGGQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O/c1-12-8-14(22)10-17-16-11-15(6-7-19(16)25-21(12)17)24-20(26)9-13-4-2-3-5-18(13)23/h2-5,8,10,15,25H,6-7,9,11H2,1H3,(H,24,26).
What are the key properties of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide?
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 370.86 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 46098168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).