N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide

C18H18F2N2O2 — CID 113059334

IUPACN-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O2/c1-13(23)22(16-8-6-15(19)7-9-16)11-10-21-18(24)12-14-4-2-3-5-17(14)20/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyJKBQODDWAPNKEM-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113059334) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID113059334
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O2/c1-13(23)22(16-8-6-15(19)7-9-16)11-10-21-18(24)12-14-4-2-3-5-17(14)20/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyJKBQODDWAPNKEM-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062202
N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062279
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113063627
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide (CID 113059334) is N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is JKBQODDWAPNKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-13(23)22(16-8-6-15(19)7-9-16)11-10-21-18(24)12-14-4-2-3-5-17(14)20/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 332.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113059334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).