N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide

C21H21ClN2O — CID 113097267

IUPACN-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CCc3[nH]c4cc(Cl)ccc4c3C2)cc1
InChIInChI=1S/C21H21ClN2O/c1-13-2-4-14(5-3-13)10-21(25)23-16-7-9-19-18(12-16)17-8-6-15(22)11-20(17)24-19/h2-6,8,11,16,24H,7,9-10,12H2,1H3,(H,23,25)
InChIKeyZGVCUGFBDNWLDF-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.35
Rot. Bonds3

About N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide

N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 113097267) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID113097267
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC NameN-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CCc3[nH]c4cc(Cl)ccc4c3C2)cc1
InChIInChI=1S/C21H21ClN2O/c1-13-2-4-14(5-3-13)10-21(25)23-16-7-9-19-18(12-16)17-8-6-15(22)11-20(17)24-19/h2-6,8,11,16,24H,7,9-10,12H2,1H3,(H,23,25)
InChIKeyZGVCUGFBDNWLDF-UHFFFAOYSA-N
XLogP4.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.35
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-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
CID 113097229
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 113097150
N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide
CID 92762404
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
CID 113096971
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide
CID 46098102
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
CID 113097176
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-fluorophenyl)acetamide
CID 46098168
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]acetamide
CID 92757868

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide (CID 113097267) is N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NC2CCc3[nH]c4cc(Cl)ccc4c3C2)cc1.
What is the InChIKey of N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is ZGVCUGFBDNWLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-13-2-4-14(5-3-13)10-21(25)23-16-7-9-19-18(12-16)17-8-6-15(22)11-20(17)24-19/h2-6,8,11,16,24H,7,9-10,12H2,1H3,(H,23,25).
What are the key properties of N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide?
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 352.87 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113097267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).