4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide

C19H17FN2O2 — CID 110605826

IUPAC4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCc1c[nH]c2ccccc12
InChIInChI=1S/C19H17FN2O2/c20-16-7-3-1-6-15(16)18(23)9-10-19(24)22-12-13-11-21-17-8-4-2-5-14(13)17/h1-8,11,21H,9-10,12H2,(H,22,24)
InChIKeyAYLGYKXOCWUQIE-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.59
Rot. Bonds6

About 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide

4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide (PubChem CID 110605826) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide
PubChem CID110605826
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCc1c[nH]c2ccccc12
InChIInChI=1S/C19H17FN2O2/c20-16-7-3-1-6-15(16)18(23)9-10-19(24)22-12-13-11-21-17-8-4-2-5-14(13)17/h1-8,11,21H,9-10,12H2,(H,22,24)
InChIKeyAYLGYKXOCWUQIE-UHFFFAOYSA-N
XLogP3.59
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
1-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)cyclopropane-1-carboxamide
CID 110605839
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide
CID 18170635

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide (CID 110605826) is 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide is O=C(CCC(=O)c1ccccc1F)NCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide?
The InChIKey is AYLGYKXOCWUQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-16-7-3-1-6-15(16)18(23)9-10-19(24)22-12-13-11-21-17-8-4-2-5-14(13)17/h1-8,11,21H,9-10,12H2,(H,22,24).
What are the key properties of 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide?
4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide has a molecular weight of 324.36 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 110605826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).