N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide

C18H15FN2O2 — CID 5077099

IUPACN-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCc1c(F)cccc1NC(=O)Cn1cc(C=O)c2ccccc21
InChIInChI=1S/C18H15FN2O2/c1-12-15(19)6-4-7-16(12)20-18(23)10-21-9-13(11-22)14-5-2-3-8-17(14)21/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyAWKRKCQJMIJTOL-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.54
Rot. Bonds4

About N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide

N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide (PubChem CID 5077099) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
PubChem CID5077099
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCc1c(F)cccc1NC(=O)Cn1cc(C=O)c2ccccc21
InChIInChI=1S/C18H15FN2O2/c1-12-15(19)6-4-7-16(12)20-18(23)10-21-9-13(11-22)14-5-2-3-8-17(14)21/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyAWKRKCQJMIJTOL-UHFFFAOYSA-N
XLogP3.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4280823
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858697
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858687
N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
CID 775578
N-(2-fluorophenyl)-2-(3-propanoylindol-1-yl)acetamide
CID 955255
2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381
N-butan-2-yl-2-(3-formylindol-1-yl)acetamide
CID 4255967
2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide
CID 154701184
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21380516
acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 161125669

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide (CID 5077099) is N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide is Cc1c(F)cccc1NC(=O)Cn1cc(C=O)c2ccccc21.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
The InChIKey is AWKRKCQJMIJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-15(19)6-4-7-16(12)20-18(23)10-21-9-13(11-22)14-5-2-3-8-17(14)21/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide has a molecular weight of 310.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 5077099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).