N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide

C20H24FN3O2 — CID 113062203

IUPACN-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H24FN3O2/c1-15(25)24(19-9-7-18(8-10-19)23(2)3)12-11-22-20(26)14-16-5-4-6-17(21)13-16/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)
InChIKeyOOKXHKASDVIVDN-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.60
Rot. Bonds7

About N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide

N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113062203) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113062203
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H24FN3O2/c1-15(25)24(19-9-7-18(8-10-19)23(2)3)12-11-22-20(26)14-16-5-4-6-17(21)13-16/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)
InChIKeyOOKXHKASDVIVDN-UHFFFAOYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062202
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113057339
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113053567
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113062661
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113052697
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113062642
N-[2-(N,4-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061683
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113061260
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide (CID 113062203) is N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is OOKXHKASDVIVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15(25)24(19-9-7-18(8-10-19)23(2)3)12-11-22-20(26)14-16-5-4-6-17(21)13-16/h4-10,13H,11-12,14H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113062203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).