N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide

C17H15FN2O — CID 3562962

IUPACN-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccccc1F
InChIInChI=1S/C17H15FN2O/c18-15-7-3-1-5-12(15)10-20-17(21)9-13-11-19-16-8-4-2-6-14(13)16/h1-8,11,19H,9-10H2,(H,20,21)
InChIKeyWPEIMYLXSYZWJT-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.17
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide

N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 3562962) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
PubChem CID3562962
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccccc1F
InChIInChI=1S/C17H15FN2O/c18-15-7-3-1-5-12(15)10-20-17(21)9-13-11-19-16-8-4-2-6-14(13)16/h1-8,11,19H,9-10H2,(H,20,21)
InChIKeyWPEIMYLXSYZWJT-UHFFFAOYSA-N
XLogP3.17
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 8743519
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
4-(2-fluorophenyl)-N-(1H-indol-3-ylmethyl)-4-oxobutanamide
CID 110605826
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113064521

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide (CID 3562962) is N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is WPEIMYLXSYZWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-15-7-3-1-5-12(15)10-20-17(21)9-13-11-19-16-8-4-2-6-14(13)16/h1-8,11,19H,9-10H2,(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 282.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 3562962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).