N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C20H24FN3O2 — CID 113000132

IUPACN-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C20H24FN3O2/c1-3-24(4-2)18-10-8-17(9-11-18)23-20(26)14-22-19(25)13-15-6-5-7-16(21)12-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBEMQYLSRORJGQD-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.97
Rot. Bonds8

About N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113000132) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113000132
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C20H24FN3O2/c1-3-24(4-2)18-10-8-17(9-11-18)23-20(26)14-22-19(25)13-15-6-5-7-16(21)12-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBEMQYLSRORJGQD-UHFFFAOYSA-N
XLogP2.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
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-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113002054
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 2567084
2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
CID 28712277
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
2-(N-ethyl-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60517438
N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55789946
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001652
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 113000132) is N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is CCN(CC)c1ccc(NC(=O)CNC(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is BEMQYLSRORJGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-3-24(4-2)18-10-8-17(9-11-18)23-20(26)14-22-19(25)13-15-6-5-7-16(21)12-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113000132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).