2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide

C27H29FN2O2 — CID 133215067

IUPAC2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C27H29FN2O2/c1-2-26(31)30(20-23-13-15-24(28)16-14-23)25(19-22-11-7-4-8-12-22)27(32)29-18-17-21-9-5-3-6-10-21/h3-16,25H,2,17-20H2,1H3,(H,29,32)
InChIKeyYLYDPQNEPCBXKF-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.53
Rot. Bonds10

About 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide

2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 133215067) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID133215067
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC Name2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C27H29FN2O2/c1-2-26(31)30(20-23-13-15-24(28)16-14-23)25(19-22-11-7-4-8-12-22)27(32)29-18-17-21-9-5-3-6-10-21/h3-16,25H,2,17-20H2,1H3,(H,29,32)
InChIKeyYLYDPQNEPCBXKF-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257260
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132947642
2-[3,3-diphenylpropanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132622470
(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741850
N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 133172881
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 132610904
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172756
N-ethyl-2-[(4-fluorophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanamide
CID 132617047
(2S)-N-butyl-2-[(4-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 100606085
2-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133214981
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133215178

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide (CID 133215067) is 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide is CCC(=O)N(Cc1ccc(F)cc1)C(Cc1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is YLYDPQNEPCBXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-2-26(31)30(20-23-13-15-24(28)16-14-23)25(19-22-11-7-4-8-12-22)27(32)29-18-17-21-9-5-3-6-10-21/h3-16,25H,2,17-20H2,1H3,(H,29,32).
What are the key properties of 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 432.54 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 133215067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).