2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide

C23H27FN2O3 — CID 41109005

IUPAC2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C23H27FN2O3/c1-28-13-11-25(12-14-29-2)23(27)15-19-17-26(22-6-4-3-5-21(19)22)16-18-7-9-20(24)10-8-18/h3-10,17H,11-16H2,1-2H3
InChIKeyZRKKAXVTXGVJMX-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.49
Rot. Bonds10

About 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide

2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 41109005) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide
PubChem CID41109005
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C23H27FN2O3/c1-28-13-11-25(12-14-29-2)23(27)15-19-17-26(22-6-4-3-5-21(19)22)16-18-7-9-20(24)10-8-18/h3-10,17H,11-16H2,1-2H3
InChIKeyZRKKAXVTXGVJMX-UHFFFAOYSA-N
XLogP3.49
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 30560021
2-(cyanoamino)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 87585983
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate
CID 10831090
methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 5420937
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide (CID 41109005) is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is ZRKKAXVTXGVJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-28-13-11-25(12-14-29-2)23(27)15-19-17-26(22-6-4-3-5-21(19)22)16-18-7-9-20(24)10-8-18/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide?
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 398.48 g/mol, XLogP of 3.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 41109005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).