2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide

C24H23FN2O2 — CID 57081498

IUPAC2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide
SMILESCN(C=O)c1cc(CC(=O)Nc2cccc(CCc3ccccc3)c2)ccc1F
InChIInChI=1S/C24H23FN2O2/c1-27(17-28)23-15-20(12-13-22(23)25)16-24(29)26-21-9-5-8-19(14-21)11-10-18-6-3-2-4-7-18/h2-9,12-15,17H,10-11,16H2,1H3,(H,26,29)
InChIKeyMIKJHENBSLYPDE-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.38
Rot. Bonds8

About 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide

2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide (PubChem CID 57081498) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide
PubChem CID57081498
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide
SMILESCN(C=O)c1cc(CC(=O)Nc2cccc(CCc3ccccc3)c2)ccc1F
InChIInChI=1S/C24H23FN2O2/c1-27(17-28)23-15-20(12-13-22(23)25)16-24(29)26-21-9-5-8-19(14-21)11-10-18-6-3-2-4-7-18/h2-9,12-15,17H,10-11,16H2,1H3,(H,26,29)
InChIKeyMIKJHENBSLYPDE-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-[methyl(sulfino)amino]-4-[2-oxo-2-[3-(2-phenylethyl)anilino]ethyl]benzene
CID 57000798
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114307288
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]amino]acetamide
CID 18078875
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209
3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
CID 87006959
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide?
The IUPAC name of 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide (CID 57081498) is 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide is CN(C=O)c1cc(CC(=O)Nc2cccc(CCc3ccccc3)c2)ccc1F.
What is the InChIKey of 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide?
The InChIKey is MIKJHENBSLYPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-27(17-28)23-15-20(12-13-22(23)25)16-24(29)26-21-9-5-8-19(14-21)11-10-18-6-3-2-4-7-18/h2-9,12-15,17H,10-11,16H2,1H3,(H,26,29).
What are the key properties of 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide?
2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide has a molecular weight of 390.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-[formyl(methyl)amino]phenyl]-N-[3-(2-phenylethyl)phenyl]acetamide is sourced from PubChem (CID 57081498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).