2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide

C24H21FN2O3 — CID 46334526

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1OC
InChIInChI=1S/C24H21FN2O3/c1-29-22-10-3-15(11-23(22)30-2)12-24(28)26-19-7-4-16(5-8-19)21-14-17-13-18(25)6-9-20(17)27-21/h3-11,13-14,27H,12H2,1-2H3,(H,26,28)
InChIKeyXMNOMUTXRUOAGF-UHFFFAOYSA-N
MW404.44 g/mol
LogP5.17
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide (PubChem CID 46334526) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide
PubChem CID46334526
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1OC
InChIInChI=1S/C24H21FN2O3/c1-29-22-10-3-15(11-23(22)30-2)12-24(28)26-19-7-4-16(5-8-19)21-14-17-13-18(25)6-9-20(17)27-21/h3-11,13-14,27H,12H2,1-2H3,(H,26,28)
InChIKeyXMNOMUTXRUOAGF-UHFFFAOYSA-N
XLogP5.17
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 46381077
1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381042
4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 46334572
1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
CID 46334596
N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329364
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 16913183

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide (CID 46334526) is 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide?
The InChIKey is XMNOMUTXRUOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-29-22-10-3-15(11-23(22)30-2)12-24(28)26-19-7-4-16(5-8-19)21-14-17-13-18(25)6-9-20(17)27-21/h3-11,13-14,27H,12H2,1-2H3,(H,26,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide has a molecular weight of 404.44 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide is sourced from PubChem (CID 46334526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).