N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide

C30H27FN2O2 — CID 133238234

IUPACN-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C30H27FN2O2/c31-27-18-16-25(17-19-27)22-33(28(34)20-23-10-4-1-5-11-23)29(26-14-8-3-9-15-26)30(35)32-21-24-12-6-2-7-13-24/h1-19,29H,20-22H2,(H,32,35)
InChIKeyQNNKGBKGBWOGSW-UHFFFAOYSA-N
MW466.56 g/mol
LogP5.45
Rot. Bonds9

About N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide

N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide (PubChem CID 133238234) has the molecular formula C30H27FN2O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
PubChem CID133238234
Molecular FormulaC30H27FN2O2
Molecular Weight466.56 g/mol
Exact Mass466.21
IUPAC NameN-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C30H27FN2O2/c31-27-18-16-25(17-19-27)22-33(28(34)20-23-10-4-1-5-11-23)29(26-14-8-3-9-15-26)30(35)32-21-24-12-6-2-7-13-24/h1-19,29H,20-22H2,(H,32,35)
InChIKeyQNNKGBKGBWOGSW-UHFFFAOYSA-N
XLogP5.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133238314
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201948
2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237149
2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238250
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238311
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238309
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133215150
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide
CID 133238136
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256
2-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 56538273
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide
CID 133238116

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide?
The IUPAC name of N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide (CID 133238234) is N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide?
The canonical SMILES for N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide is O=C(NCc1ccccc1)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide?
The InChIKey is QNNKGBKGBWOGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN2O2/c31-27-18-16-25(17-19-27)22-33(28(34)20-23-10-4-1-5-11-23)29(26-14-8-3-9-15-26)30(35)32-21-24-12-6-2-7-13-24/h1-19,29H,20-22H2,(H,32,35).
What are the key properties of N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide?
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide has a molecular weight of 466.56 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133238234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).