2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide

C43H36N2O4 — CID 5144986

IUPAC2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C3(c4ccc(NC(=O)Cc5ccc(OC)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C43H36N2O4/c1-48-35-23-11-29(12-24-35)27-41(46)44-33-19-15-31(16-20-33)43(39-9-5-3-7-37(39)38-8-4-6-10-40(38)43)32-17-21-34(22-18-32)45-42(47)28-30-13-25-36(49-2)26-14-30/h3-26H,27-28H2,1-2H3,(H,44,46)(H,45,47)
InChIKeyVOVSNLPIZBGHFX-UHFFFAOYSA-N
MW644.77 g/mol
LogP8.43
Rot. Bonds10

About 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide

2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide (PubChem CID 5144986) has the molecular formula C43H36N2O4 and a molecular weight of 644.77 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
PubChem CID5144986
Molecular FormulaC43H36N2O4
Molecular Weight644.77 g/mol
Exact Mass644.27
IUPAC Name2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C3(c4ccc(NC(=O)Cc5ccc(OC)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C43H36N2O4/c1-48-35-23-11-29(12-24-35)27-41(46)44-33-19-15-31(16-20-33)43(39-9-5-3-7-37(39)38-8-4-6-10-40(38)43)32-17-21-34(22-18-32)45-42(47)28-30-13-25-36(49-2)26-14-30/h3-26H,27-28H2,1-2H3,(H,44,46)(H,45,47)
InChIKeyVOVSNLPIZBGHFX-UHFFFAOYSA-N
XLogP8.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.77
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide (CID 5144986) is 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(C3(c4ccc(NC(=O)Cc5ccc(OC)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide?
The InChIKey is VOVSNLPIZBGHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N2O4/c1-48-35-23-11-29(12-24-35)27-41(46)44-33-19-15-31(16-20-33)43(39-9-5-3-7-37(39)38-8-4-6-10-40(38)43)32-17-21-34(22-18-32)45-42(47)28-30-13-25-36(49-2)26-14-30/h3-26H,27-28H2,1-2H3,(H,44,46)(H,45,47).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide has a molecular weight of 644.77 g/mol, XLogP of 8.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide is sourced from PubChem (CID 5144986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).