2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide

C21H25F2N3O2 — CID 113180493

IUPAC2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)Nc2c(F)cccc2F)C(C)=O)c(C)c1
InChIInChI=1S/C21H25F2N3O2/c1-5-25(6-2)16-10-11-19(14(3)12-16)26(15(4)27)13-20(28)24-21-17(22)8-7-9-18(21)23/h7-12H,5-6,13H2,1-4H3,(H,24,28)
InChIKeyLFVFNJQUSTTXTK-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.11
Rot. Bonds7

About 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide

2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 113180493) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide
PubChem CID113180493
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)Nc2c(F)cccc2F)C(C)=O)c(C)c1
InChIInChI=1S/C21H25F2N3O2/c1-5-25(6-2)16-10-11-19(14(3)12-16)26(15(4)27)13-20(28)24-21-17(22)8-7-9-18(21)23/h7-12H,5-6,13H2,1-4H3,(H,24,28)
InChIKeyLFVFNJQUSTTXTK-UHFFFAOYSA-N
XLogP4.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.11
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-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113180495
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
CID 113180480
N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113180492
N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
CID 113063996
2-(N-acetyl-2,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113167956
2-(N-acetyl-2,3-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 113180204
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113180428
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
CID 113176902
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113172088
2-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)acetamide
CID 113179024

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide (CID 113180493) is 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide is CCN(CC)c1ccc(N(CC(=O)Nc2c(F)cccc2F)C(C)=O)c(C)c1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is LFVFNJQUSTTXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-5-25(6-2)16-10-11-19(14(3)12-16)26(15(4)27)13-20(28)24-21-17(22)8-7-9-18(21)23/h7-12H,5-6,13H2,1-4H3,(H,24,28).
What are the key properties of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide?
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 389.45 g/mol, XLogP of 4.11, 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)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 113180493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).