N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide

C22H21FN2O2 — CID 4899000

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)NCCc3c[nH]c4ccc(F)cc34)c(C)c2c1
InChIInChI=1S/C22H21FN2O2/c1-12-8-13(2)20-17(9-12)14(3)21(27-20)22(26)24-7-6-15-11-25-19-5-4-16(23)10-18(15)19/h4-5,8-11,25H,6-7H2,1-3H3,(H,24,26)
InChIKeyZYIZEXJNTZHFBX-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.95
Rot. Bonds4

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 4899000) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID4899000
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)NCCc3c[nH]c4ccc(F)cc34)c(C)c2c1
InChIInChI=1S/C22H21FN2O2/c1-12-8-13(2)20-17(9-12)14(3)21(27-20)22(26)24-7-6-15-11-25-19-5-4-16(23)10-18(15)19/h4-5,8-11,25H,6-7H2,1-3H3,(H,24,26)
InChIKeyZYIZEXJNTZHFBX-UHFFFAOYSA-N
XLogP4.95
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8832763
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 27644530
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide
CID 23910257
3-fluoro-N-[2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111972084
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide (CID 4899000) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide is Cc1cc(C)c2oc(C(=O)NCCc3c[nH]c4ccc(F)cc34)c(C)c2c1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ZYIZEXJNTZHFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-12-8-13(2)20-17(9-12)14(3)21(27-20)22(26)24-7-6-15-11-25-19-5-4-16(23)10-18(15)19/h4-5,8-11,25H,6-7H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4899000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).