2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide

C34H35FN2O2 — CID 132622469

IUPAC2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35FN2O2/c1-2-22-36-34(39)32(23-26-14-6-3-7-15-26)37(25-29-20-12-13-21-31(29)35)33(38)24-30(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-21,30,32H,2,22-25H2,1H3,(H,36,39)
InChIKeyGDEQNKVZNGAYAY-UHFFFAOYSA-N
MW522.66 g/mol
LogP6.51
Rot. Bonds12

About 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide

2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide (PubChem CID 132622469) has the molecular formula C34H35FN2O2 and a molecular weight of 522.66 g/mol. Its IUPAC name is 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
PubChem CID132622469
Molecular FormulaC34H35FN2O2
Molecular Weight522.66 g/mol
Exact Mass522.27
IUPAC Name2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35FN2O2/c1-2-22-36-34(39)32(23-26-14-6-3-7-15-26)37(25-29-20-12-13-21-31(29)35)33(38)24-30(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-21,30,32H,2,22-25H2,1H3,(H,36,39)
InChIKeyGDEQNKVZNGAYAY-UHFFFAOYSA-N
XLogP6.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.66
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132618619
2-[3,3-diphenylpropanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132622470
2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide
CID 133255789
N-butyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133231748
2-[(2-benzylsulfanylacetyl)-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132616497
2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132614113
(2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100610495
2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132619517
2-[(2-fluorophenyl)methyl-[2-(N-methylsulfonylanilino)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132622865
N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 132761612
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132620726
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132645044

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The IUPAC name of 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide (CID 132622469) is 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The canonical SMILES for 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide is CCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The InChIKey is GDEQNKVZNGAYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN2O2/c1-2-22-36-34(39)32(23-26-14-6-3-7-15-26)37(25-29-20-12-13-21-31(29)35)33(38)24-30(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-21,30,32H,2,22-25H2,1H3,(H,36,39).
What are the key properties of 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide has a molecular weight of 522.66 g/mol, XLogP of 6.51, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 132622469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).