4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide

C21H23FN2O — CID 22522951

IUPAC4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
SMILESCCn1cc(CCCC(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H23FN2O/c1-2-24-15-17(19-7-3-4-8-20(19)24)6-5-9-21(25)23-14-16-10-12-18(22)13-11-16/h3-4,7-8,10-13,15H,2,5-6,9,14H2,1H3,(H,23,25)
InChIKeyGIHHEROZNUBKIP-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.44
Rot. Bonds7

About 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide

4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide (PubChem CID 22522951) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
PubChem CID22522951
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
SMILESCCn1cc(CCCC(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H23FN2O/c1-2-24-15-17(19-7-3-4-8-20(19)24)6-5-9-21(25)23-14-16-10-12-18(22)13-11-16/h3-4,7-8,10-13,15H,2,5-6,9,14H2,1H3,(H,23,25)
InChIKeyGIHHEROZNUBKIP-UHFFFAOYSA-N
XLogP4.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
N-butan-2-yl-4-(1-ethylindol-3-yl)butanamide
CID 22522937
2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 4649358
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 164781458
N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899803
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 154688026
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide
CID 2717035
N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899802
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 18582399
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide?
The IUPAC name of 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide (CID 22522951) is 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide?
The canonical SMILES for 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide is CCn1cc(CCCC(=O)NCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide?
The InChIKey is GIHHEROZNUBKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-2-24-15-17(19-7-3-4-8-20(19)24)6-5-9-21(25)23-14-16-10-12-18(22)13-11-16/h3-4,7-8,10-13,15H,2,5-6,9,14H2,1H3,(H,23,25).
What are the key properties of 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide?
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide has a molecular weight of 338.43 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 22522951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).