N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide

C29H26N2O2 — CID 100515353

IUPACN-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c1-21(23-10-4-2-5-11-23)30-29(33)26-14-8-9-15-27(26)31-28(32)20-22-16-18-25(19-17-22)24-12-6-3-7-13-24/h2-19,21H,20H2,1H3,(H,30,33)(H,31,32)/t21-/m1/s1
InChIKeyRMDJQYKBDQNEMQ-OAQYLSRUSA-N
MW434.54 g/mol
LogP6.03
Rot. Bonds7

About N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide

N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide (PubChem CID 100515353) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
PubChem CID100515353
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC NameN-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c1-21(23-10-4-2-5-11-23)30-29(33)26-14-8-9-15-27(26)31-28(32)20-22-16-18-25(19-17-22)24-12-6-3-7-13-24/h2-19,21H,20H2,1H3,(H,30,33)(H,31,32)/t21-/m1/s1
InChIKeyRMDJQYKBDQNEMQ-OAQYLSRUSA-N
XLogP6.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54795752
N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515328
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-[[2-(4-phenylphenyl)acetyl]amino]-N-propylbenzamide
CID 31288816
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42949097

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide (CID 100515353) is N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide is C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide?
The InChIKey is RMDJQYKBDQNEMQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-21(23-10-4-2-5-11-23)30-29(33)26-14-8-9-15-27(26)31-28(32)20-22-16-18-25(19-17-22)24-12-6-3-7-13-24/h2-19,21H,20H2,1H3,(H,30,33)(H,31,32)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide?
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide has a molecular weight of 434.54 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 100515353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).