2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide

C29H33FN2O2 — CID 133171633

IUPAC2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccccc1
InChIInChI=1S/C29H33FN2O2/c1-22(2)20-31-29(34)27(19-24-13-7-4-8-14-24)32(21-25-15-9-10-16-26(25)30)28(33)18-17-23-11-5-3-6-12-23/h3-16,22,27H,17-21H2,1-2H3,(H,31,34)
InChIKeyYTHYWSTUGUJBCZ-UHFFFAOYSA-N
MW460.59 g/mol
LogP5.17
Rot. Bonds11

About 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide

2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 133171633) has the molecular formula C29H33FN2O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID133171633
Molecular FormulaC29H33FN2O2
Molecular Weight460.59 g/mol
Exact Mass460.25
IUPAC Name2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccccc1
InChIInChI=1S/C29H33FN2O2/c1-22(2)20-31-29(34)27(19-24-13-7-4-8-14-24)32(21-25-15-9-10-16-26(25)30)28(33)18-17-23-11-5-3-6-12-23/h3-16,22,27H,17-21H2,1-2H3,(H,31,34)
InChIKeyYTHYWSTUGUJBCZ-UHFFFAOYSA-N
XLogP5.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262610
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172756
2-[[2-(2-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172531
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172546
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100744462
2-[(2-fluorophenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172233
2-[(2-fluorophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172483
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741353
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100511702
2-[[2-(3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172440
2-[(3-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133233061
N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 132761612

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide (CID 133171633) is 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide is CC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is YTHYWSTUGUJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O2/c1-22(2)20-31-29(34)27(19-24-13-7-4-8-14-24)32(21-25-15-9-10-16-26(25)30)28(33)18-17-23-11-5-3-6-12-23/h3-16,22,27H,17-21H2,1-2H3,(H,31,34).
What are the key properties of 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 460.59 g/mol, XLogP of 5.17, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 133171633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).