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

C22H23ClN2O — CID 46098102

IUPACN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1CCc2[nH]c3c(C)cc(Cl)cc3c2C1
InChIInChI=1S/C22H23ClN2O/c1-13-5-3-4-6-15(13)10-21(26)24-17-7-8-20-18(12-17)19-11-16(23)9-14(2)22(19)25-20/h3-6,9,11,17,25H,7-8,10,12H2,1-2H3,(H,24,26)
InChIKeyAMCLTJSVNLWDKY-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.65
Rot. Bonds3

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

N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide (PubChem CID 46098102) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide
PubChem CID46098102
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC NameN-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1CCc2[nH]c3c(C)cc(Cl)cc3c2C1
InChIInChI=1S/C22H23ClN2O/c1-13-5-3-4-6-15(13)10-21(26)24-17-7-8-20-18(12-17)19-11-16(23)9-14(2)22(19)25-20/h3-6,9,11,17,25H,7-8,10,12H2,1-2H3,(H,24,26)
InChIKeyAMCLTJSVNLWDKY-UHFFFAOYSA-N
XLogP4.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.65
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-fluorophenyl)acetamide
CID 46098168
N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide
CID 92762404
N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 42656697
3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
CID 92756876
methyl 4-[(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-4-oxobutanoate
CID 46095686
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
3-methyl-N-[(3R)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]but-2-enamide
CID 92756889
N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 92767741
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 46098190
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
CID 113096971
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517

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-methylphenyl)acetamide?
The IUPAC name of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide (CID 46098102) is N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC1CCc2[nH]c3c(C)cc(Cl)cc3c2C1.
What is the InChIKey of N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is AMCLTJSVNLWDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-13-5-3-4-6-15(13)10-21(26)24-17-7-8-20-18(12-17)19-11-16(23)9-14(2)22(19)25-20/h3-6,9,11,17,25H,7-8,10,12H2,1-2H3,(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-methylphenyl)acetamide?
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide has a molecular weight of 366.89 g/mol, XLogP of 4.65, 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-methylphenyl)acetamide is sourced from PubChem (CID 46098102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).