N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide

C20H24FN3O2 — CID 113001652

IUPACN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C20H24FN3O2/c1-4-24(5-2)17-9-10-18(14(3)11-17)23-19(25)13-22-20(26)15-7-6-8-16(21)12-15/h6-12H,4-5,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyKINLHRAWHAQALJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.35
Rot. Bonds7

About N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 113001652) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID113001652
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C20H24FN3O2/c1-4-24(5-2)17-9-10-18(14(3)11-17)23-19(25)13-22-20(26)15-7-6-8-16(21)12-15/h6-12H,4-5,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyKINLHRAWHAQALJ-UHFFFAOYSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.35
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-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 113001657
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 113001675
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
CID 112997286
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide (CID 113001652) is N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide is CCN(CC)c1ccc(NC(=O)CNC(=O)c2cccc(F)c2)c(C)c1.
What is the InChIKey of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is KINLHRAWHAQALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-4-24(5-2)17-9-10-18(14(3)11-17)23-19(25)13-22-20(26)15-7-6-8-16(21)12-15/h6-12H,4-5,13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 357.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 113001652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).