2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide

C20H23F2N3O2 — CID 113176939

IUPAC2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)Nc2ccc(F)cc2F)C(C)=O)cc1
InChIInChI=1S/C20H23F2N3O2/c1-4-24(5-2)16-7-9-17(10-8-16)25(14(3)26)13-20(27)23-19-11-6-15(21)12-18(19)22/h6-12H,4-5,13H2,1-3H3,(H,23,27)
InChIKeyHPYQLEDQTPVYRP-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.80
Rot. Bonds7

About 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide

2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 113176939) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide
PubChem CID113176939
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)Nc2ccc(F)cc2F)C(C)=O)cc1
InChIInChI=1S/C20H23F2N3O2/c1-4-24(5-2)16-7-9-17(10-8-16)25(14(3)26)13-20(27)23-19-11-6-15(21)12-18(19)22/h6-12H,4-5,13H2,1-3H3,(H,23,27)
InChIKeyHPYQLEDQTPVYRP-UHFFFAOYSA-N
XLogP3.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.80
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

2-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113169375
2-(N-acetyl-4-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167823
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113177074
2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113169389
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
2-(N,3-diacetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113175525
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
2-(N-acetyl-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 113171081

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide (CID 113176939) is 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide is CCN(CC)c1ccc(N(CC(=O)Nc2ccc(F)cc2F)C(C)=O)cc1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is HPYQLEDQTPVYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-4-24(5-2)16-7-9-17(10-8-16)25(14(3)26)13-20(27)23-19-11-6-15(21)12-18(19)22/h6-12H,4-5,13H2,1-3H3,(H,23,27).
What are the key properties of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide?
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 375.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 113176939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).