2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide

C23H28ClFN2O2 — CID 132708841

IUPAC2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H28ClFN2O2/c1-4-21(23(29)26-14-16(2)3)27(15-18-7-11-20(25)12-8-18)22(28)13-17-5-9-19(24)10-6-17/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,29)
InChIKeyLFKXBHJEXFFFOQ-UHFFFAOYSA-N
MW418.94 g/mol
LogP4.60
Rot. Bonds9

About 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide

2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide (PubChem CID 132708841) has the molecular formula C23H28ClFN2O2 and a molecular weight of 418.94 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
PubChem CID132708841
Molecular FormulaC23H28ClFN2O2
Molecular Weight418.94 g/mol
Exact Mass418.18
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H28ClFN2O2/c1-4-21(23(29)26-14-16(2)3)27(15-18-7-11-20(25)12-8-18)22(28)13-17-5-9-19(24)10-6-17/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,29)
InChIKeyLFKXBHJEXFFFOQ-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.94
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide
CID 132656685
2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132717778
2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132708850
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100712783
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
CID 132700111
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]butanamide
CID 132708889
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 132666533
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]butanamide
CID 100703797
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylbutanamide
CID 100571001
2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657951
(2S)-2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100576018
2-[[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132737495

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide (CID 132708841) is 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide is CCC(C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide?
The InChIKey is LFKXBHJEXFFFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O2/c1-4-21(23(29)26-14-16(2)3)27(15-18-7-11-20(25)12-8-18)22(28)13-17-5-9-19(24)10-6-17/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,29).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide?
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide has a molecular weight of 418.94 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 132708841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).