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

C22H28FN3O2 — CID 113062279

IUPACN-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCCN(CC)c1ccc(N(CCNC(=O)Cc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C22H28FN3O2/c1-4-25(5-2)19-10-12-20(13-11-19)26(17(3)27)15-14-24-22(28)16-18-8-6-7-9-21(18)23/h6-13H,4-5,14-16H2,1-3H3,(H,24,28)
InChIKeyOJWFDTHBUGQVHB-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.38
Rot. Bonds9

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

N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113062279) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID113062279
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCCN(CC)c1ccc(N(CCNC(=O)Cc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C22H28FN3O2/c1-4-25(5-2)19-10-12-20(13-11-19)26(17(3)27)15-14-24-22(28)16-18-8-6-7-9-21(18)23/h6-13H,4-5,14-16H2,1-3H3,(H,24,28)
InChIKeyOJWFDTHBUGQVHB-UHFFFAOYSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.38
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-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062202
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
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
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
CID 113063996
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062291

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide (CID 113062279) is N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide is CCN(CC)c1ccc(N(CCNC(=O)Cc2ccccc2F)C(C)=O)cc1.
What is the InChIKey of N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is OJWFDTHBUGQVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-4-25(5-2)19-10-12-20(13-11-19)26(17(3)27)15-14-24-22(28)16-18-8-6-7-9-21(18)23/h6-13H,4-5,14-16H2,1-3H3,(H,24,28).
What are the key properties of N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 385.48 g/mol, XLogP of 3.38, 9 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-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113062279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).