2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide

C23H28FN3O3 — CID 3714711

IUPAC2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FN3O3/c1-16(2)14-27(23(30)12-18-6-8-19(24)9-7-18)15-22(29)25-13-21(28)26-20-10-4-17(3)5-11-20/h4-11,16H,12-15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyLVFNLQSHJVUSJY-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.92
Rot. Bonds9

About 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide

2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide (PubChem CID 3714711) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide
PubChem CID3714711
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FN3O3/c1-16(2)14-27(23(30)12-18-6-8-19(24)9-7-18)15-22(29)25-13-21(28)26-20-10-4-17(3)5-11-20/h4-11,16H,12-15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyLVFNLQSHJVUSJY-UHFFFAOYSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 3439279
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5192936
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3383343
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 4278376
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 3252705
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4133888
3-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5087039
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
CID 5184382
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 3451600
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide (CID 3714711) is 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide is Cc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide?
The InChIKey is LVFNLQSHJVUSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-16(2)14-27(23(30)12-18-6-8-19(24)9-7-18)15-22(29)25-13-21(28)26-20-10-4-17(3)5-11-20/h4-11,16H,12-15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide?
2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide has a molecular weight of 413.49 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 3714711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).