N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide

C16H23FN2O2 — CID 113052697

IUPACN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCC(C)N(CCNC(=O)Cc1cccc(F)c1)C(C)=O
InChIInChI=1S/C16H23FN2O2/c1-4-12(2)19(13(3)20)9-8-18-16(21)11-14-6-5-7-15(17)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,18,21)
InChIKeyBGUCWIJJHLGUJE-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.13
Rot. Bonds7

About N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide

N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113052697) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113052697
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCC(C)N(CCNC(=O)Cc1cccc(F)c1)C(C)=O
InChIInChI=1S/C16H23FN2O2/c1-4-12(2)19(13(3)20)9-8-18-16(21)11-14-6-5-7-15(17)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,18,21)
InChIKeyBGUCWIJJHLGUJE-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113053567
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113062203
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052708
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113057339
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111246942
ethyl 4-[acetyl-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]amino]piperidine-1-carboxylate
CID 113056390
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide
CID 95167816
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113052669

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide (CID 113052697) is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide is CCC(C)N(CCNC(=O)Cc1cccc(F)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is BGUCWIJJHLGUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-12(2)19(13(3)20)9-8-18-16(21)11-14-6-5-7-15(17)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113052697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).