N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide

C23H19FN2O — CID 112814822

IUPACN-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
SMILESO=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1ccc(F)cc1
InChIInChI=1S/C23H19FN2O/c24-21-13-11-20(12-14-21)16-26-23(27)17-25-22-8-4-7-19(15-22)10-9-18-5-2-1-3-6-18/h1-8,11-15,25H,16-17H2,(H,26,27)
InChIKeyNGTGGUTYCXSKTJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.95
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide

N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide (PubChem CID 112814822) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
PubChem CID112814822
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
SMILESO=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1ccc(F)cc1
InChIInChI=1S/C23H19FN2O/c24-21-13-11-20(12-14-21)16-26-23(27)17-25-22-8-4-7-19(15-22)10-9-18-5-2-1-3-6-18/h1-8,11-15,25H,16-17H2,(H,26,27)
InChIKeyNGTGGUTYCXSKTJ-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814812
N-[(4-methylphenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814826
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
CID 26438582
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825541
2-anilino-N-[(4-bromophenyl)methyl]acetamide
CID 60862420
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 62538297
N-benzyl-2-(3-propan-2-ylanilino)acetamide
CID 28829787
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide (CID 112814822) is N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide is O=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide?
The InChIKey is NGTGGUTYCXSKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c24-21-13-11-20(12-14-21)16-26-23(27)17-25-22-8-4-7-19(15-22)10-9-18-5-2-1-3-6-18/h1-8,11-15,25H,16-17H2,(H,26,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide is sourced from PubChem (CID 112814822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).