N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide

C36H28N2O2 — CID 102425196

IUPACN-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)cc2ccccc2c1-c1c(NC(C)=O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C36H28N2O2/c1-23(39)37-35-31(25-13-5-3-6-14-25)21-27-17-9-11-19-29(27)33(35)34-30-20-12-10-18-28(30)22-32(36(34)38-24(2)40)26-15-7-4-8-16-26/h3-22H,1-2H3,(H,37,39)(H,38,40)
InChIKeyLEGWAGVGPIXWIN-UHFFFAOYSA-N
MW520.63 g/mol
LogP8.91
Rot. Bonds5

About N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide

N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide (PubChem CID 102425196) has the molecular formula C36H28N2O2 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide
PubChem CID102425196
Molecular FormulaC36H28N2O2
Molecular Weight520.63 g/mol
Exact Mass520.22
IUPAC NameN-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)cc2ccccc2c1-c1c(NC(C)=O)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C36H28N2O2/c1-23(39)37-35-31(25-13-5-3-6-14-25)21-27-17-9-11-19-29(27)33(35)34-30-20-12-10-18-28(30)22-32(36(34)38-24(2)40)26-15-7-4-8-16-26/h3-22H,1-2H3,(H,37,39)(H,38,40)
InChIKeyLEGWAGVGPIXWIN-UHFFFAOYSA-N
XLogP8.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 58.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine
CID 10191150
N-(2-naphthalen-2-ylnaphthalen-1-yl)acetamide
CID 101477618
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
2-chloro-1,3-diphenylnaphthalene
CID 12697982
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284
12,12-dihydroxy-10,14-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;hydrate
CID 139037456
5,7-diphenylbenzo[c]phenanthrene
CID 123858461
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one
CID 102351912
3-anthracen-9-ylphenol
CID 91210590
2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
CID 58898275

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide?
The IUPAC name of N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide (CID 102425196) is N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide?
The canonical SMILES for N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide is CC(=O)Nc1c(-c2ccccc2)cc2ccccc2c1-c1c(NC(C)=O)c(-c2ccccc2)cc2ccccc12.
What is the InChIKey of N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide?
The InChIKey is LEGWAGVGPIXWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O2/c1-23(39)37-35-31(25-13-5-3-6-14-25)21-27-17-9-11-19-29(27)33(35)34-30-20-12-10-18-28(30)22-32(36(34)38-24(2)40)26-15-7-4-8-16-26/h3-22H,1-2H3,(H,37,39)(H,38,40).
What are the key properties of N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide?
N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide has a molecular weight of 520.63 g/mol, XLogP of 8.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide is sourced from PubChem (CID 102425196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).