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

C21H21FN2O2 — CID 113097150

IUPACN-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCc3[nH]c4cc(F)ccc4c3C2)cc1
InChIInChI=1S/C21H21FN2O2/c1-26-16-6-2-13(3-7-16)10-21(25)23-15-5-9-19-18(12-15)17-8-4-14(22)11-20(17)24-19/h2-4,6-8,11,15,24H,5,9-10,12H2,1H3,(H,23,25)
InChIKeyILHZXXWZDMYXDR-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.53
Rot. Bonds4

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

N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 113097150) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID113097150
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCc3[nH]c4cc(F)ccc4c3C2)cc1
InChIInChI=1S/C21H21FN2O2/c1-26-16-6-2-13(3-7-16)10-21(25)23-15-5-9-19-18(12-15)17-8-4-14(22)11-20(17)24-19/h2-4,6-8,11,15,24H,5,9-10,12H2,1H3,(H,23,25)
InChIKeyILHZXXWZDMYXDR-UHFFFAOYSA-N
XLogP3.53
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
CID 113097176
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
CID 113097125
2-[6-fluoro-3-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811952
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580171
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 84626995
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-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide (CID 113097150) is N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCc3[nH]c4cc(F)ccc4c3C2)cc1.
What is the InChIKey of N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is ILHZXXWZDMYXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-26-16-6-2-13(3-7-16)10-21(25)23-15-5-9-19-18(12-15)17-8-4-14(22)11-20(17)24-19/h2-4,6-8,11,15,24H,5,9-10,12H2,1H3,(H,23,25).
What are the key properties of N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide?
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 352.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113097150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).