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

C12H15FN2O2 — CID 113059276

IUPACN-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-9(16)14-7-8-15(10(2)17)12-5-3-11(13)4-6-12/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyDDPWNJCBZWBMAO-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.31
Rot. Bonds4

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

N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide (PubChem CID 113059276) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
PubChem CID113059276
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-9(16)14-7-8-15(10(2)17)12-5-3-11(13)4-6-12/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKeyDDPWNJCBZWBMAO-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
CID 113059285
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
CID 113059350
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide?
The IUPAC name of N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide (CID 113059276) is N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide is CC(=O)NCCN(C(C)=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide?
The InChIKey is DDPWNJCBZWBMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-9(16)14-7-8-15(10(2)17)12-5-3-11(13)4-6-12/h3-6H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide?
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide has a molecular weight of 238.26 g/mol, XLogP of 1.31, 4 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]acetamide is sourced from PubChem (CID 113059276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).