2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide

C41H39F2N3O6 — CID 118340391

IUPAC2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)C(=O)CN2C(=O)NC(c3ccc(F)cc3)(c3ccc(F)cc3)[C@@H]2c2ccccc2)c(OC)c1
InChIInChI=1S/C41H39F2N3O6/c1-49-34-20-10-28(36(22-34)51-3)24-45(25-29-11-21-35(50-2)23-37(29)52-4)38(47)26-46-39(27-8-6-5-7-9-27)41(44-40(46)48,30-12-16-32(42)17-13-30)31-14-18-33(43)19-15-31/h5-23,39H,24-26H2,1-4H3,(H,44,48)/t39-/m0/s1
InChIKeyKMRMQQQOICUGOZ-KDXMTYKHSA-N
MW707.77 g/mol
LogP7.24
Rot. Bonds13

About 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide

2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 118340391) has the molecular formula C41H39F2N3O6 and a molecular weight of 707.77 g/mol. Its IUPAC name is 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide
PubChem CID118340391
Molecular FormulaC41H39F2N3O6
Molecular Weight707.77 g/mol
Exact Mass707.28
IUPAC Name2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)C(=O)CN2C(=O)NC(c3ccc(F)cc3)(c3ccc(F)cc3)[C@@H]2c2ccccc2)c(OC)c1
InChIInChI=1S/C41H39F2N3O6/c1-49-34-20-10-28(36(22-34)51-3)24-45(25-29-11-21-35(50-2)23-37(29)52-4)38(47)26-46-39(27-8-6-5-7-9-27)41(44-40(46)48,30-12-16-32(42)17-13-30)31-14-18-33(43)19-15-31/h5-23,39H,24-26H2,1-4H3,(H,44,48)/t39-/m0/s1
InChIKeyKMRMQQQOICUGOZ-KDXMTYKHSA-N
XLogP7.24
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.77
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2689336
N-(cyclobutylmethyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
CID 154755982
2-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 55328911
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
[(2,4-dimethoxyphenyl)methyl-[(2R,3R)-3-methyloxirane-2-carbonyl]amino]methyl benzoate
CID 139625459
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide (CID 118340391) is 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CN(Cc2ccc(OC)cc2OC)C(=O)CN2C(=O)NC(c3ccc(F)cc3)(c3ccc(F)cc3)[C@@H]2c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is KMRMQQQOICUGOZ-KDXMTYKHSA-N. The full InChI is InChI=1S/C41H39F2N3O6/c1-49-34-20-10-28(36(22-34)51-3)24-45(25-29-11-21-35(50-2)23-37(29)52-4)38(47)26-46-39(27-8-6-5-7-9-27)41(44-40(46)48,30-12-16-32(42)17-13-30)31-14-18-33(43)19-15-31/h5-23,39H,24-26H2,1-4H3,(H,44,48)/t39-/m0/s1.
What are the key properties of 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide?
2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 707.77 g/mol, XLogP of 7.24, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-4,4-bis(4-fluorophenyl)-2-oxo-5-phenylimidazolidin-1-yl]-N,N-bis[(2,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 118340391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).