N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide

C18H14ClFN2O2 — CID 46858698

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)NCc2ccc(F)cc2Cl)c2ccccc12
InChIInChI=1S/C18H14ClFN2O2/c19-16-7-14(20)6-5-12(16)8-21-18(24)10-22-9-13(11-23)15-3-1-2-4-17(15)22/h1-7,9,11H,8,10H2,(H,21,24)
InChIKeyDKUJBKZLDLLRLB-UHFFFAOYSA-N
MW344.77 g/mol
LogP3.56
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide (PubChem CID 46858698) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide
PubChem CID46858698
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)NCc2ccc(F)cc2Cl)c2ccccc12
InChIInChI=1S/C18H14ClFN2O2/c19-16-7-14(20)6-5-12(16)8-21-18(24)10-22-9-13(11-23)15-3-1-2-4-17(15)22/h1-7,9,11H,8,10H2,(H,21,24)
InChIKeyDKUJBKZLDLLRLB-UHFFFAOYSA-N
XLogP3.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 53.56
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-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
CID 775578
2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 804447
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 161125669
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde
CID 114346607
N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858687
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4280823
1-[(4-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 114851412
2-(3-formylindol-1-yl)acetate
CID 3544186
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide (CID 46858698) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide is O=Cc1cn(CC(=O)NCc2ccc(F)cc2Cl)c2ccccc12.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide?
The InChIKey is DKUJBKZLDLLRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c19-16-7-14(20)6-5-12(16)8-21-18(24)10-22-9-13(11-23)15-3-1-2-4-17(15)22/h1-7,9,11H,8,10H2,(H,21,24).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide has a molecular weight of 344.77 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 46858698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).