4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide

C24H24FN3O2 — CID 55896904

IUPAC4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCCc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3F)cc2)c1
InChIInChI=1S/C24H24FN3O2/c1-2-17-6-5-8-21(14-17)28-23(29)16-26-20-12-10-18(11-13-20)24(30)27-15-19-7-3-4-9-22(19)25/h3-14,26H,2,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyWKNSUSKWYNEQQY-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.37
Rot. Bonds8

About 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide

4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 55896904) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID55896904
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCCc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3F)cc2)c1
InChIInChI=1S/C24H24FN3O2/c1-2-17-6-5-8-21(14-17)28-23(29)16-26-20-12-10-18(11-13-20)24(30)27-15-19-7-3-4-9-22(19)25/h3-14,26H,2,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyWKNSUSKWYNEQQY-UHFFFAOYSA-N
XLogP4.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361
methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 60536621
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
ethyl [4-[[3-[3-(2-fluorophenyl)propanoylamino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108932149
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9375024

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide (CID 55896904) is 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide is CCc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3F)cc2)c1.
What is the InChIKey of 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is WKNSUSKWYNEQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-2-17-6-5-8-21(14-17)28-23(29)16-26-20-12-10-18(11-13-20)24(30)27-15-19-7-3-4-9-22(19)25/h3-14,26H,2,15-16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 405.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 55896904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).