N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide

C21H22FN3O2 — CID 9439554

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22FN3O2/c1-25(14-20(26)24-17-8-5-7-16(22)12-17)21(27)11-4-6-15-13-23-19-10-3-2-9-18(15)19/h2-3,5,7-10,12-13,23H,4,6,11,14H2,1H3,(H,24,26)
InChIKeyWLEMESJKIBSUPC-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide (PubChem CID 9439554) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
PubChem CID9439554
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22FN3O2/c1-25(14-20(26)24-17-8-5-7-16(22)12-17)21(27)11-4-6-15-13-23-19-10-3-2-9-18(15)19/h2-3,5,7-10,12-13,23H,4,6,11,14H2,1H3,(H,24,26)
InChIKeyWLEMESJKIBSUPC-UHFFFAOYSA-N
XLogP3.73
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 4807536
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 113165241
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
CID 113121825
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016493
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7662689

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide (CID 9439554) is N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
The InChIKey is WLEMESJKIBSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-25(14-20(26)24-17-8-5-7-16(22)12-17)21(27)11-4-6-15-13-23-19-10-3-2-9-18(15)19/h2-3,5,7-10,12-13,23H,4,6,11,14H2,1H3,(H,24,26).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide has a molecular weight of 367.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide is sourced from PubChem (CID 9439554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).