2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide

C93H86F12N16O12 — CID 161333522

IUPAC2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide
SMILESCC(C)(C)C(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)ncn1.CC(C)C(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)ncn1.CC(C)C(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1.CCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1
InChIInChI=1S/C24H23F3N4O3.3C23H21F3N4O3/c1-23(2,3)22(33)31-19-13-21(29-14-28-19)34-18-10-8-17(9-11-18)30-20(32)12-15-4-6-16(7-5-15)24(25,26)27;1-14(2)22(32)30-19-12-21(28-13-27-19)33-18-9-7-17(8-10-18)29-20(31)11-15-3-5-16(6-4-15)23(24,25)26;1-14(2)22(32)30-19-12-21(28-13-27-19)33-18-8-6-17(7-9-18)29-20(31)11-15-4-3-5-16(10-15)23(24,25)26;1-2-4-20(31)30-19-13-22(28-14-27-19)33-18-9-7-17(8-10-18)29-21(32)12-15-5-3-6-16(11-15)23(24,25)26/h4-11,13-14H,12H2,1-3H3,(H,30,32)(H,28,29,31,33);2*3-10,12-14H,11H2,1-2H3,(H,29,31)(H,27,28,30,32);3,5-11,13-14H,2,4,12H2,1H3,(H,29,32)(H,27,28,30,31)
InChIKeyVLSQNINIVXGBIP-UHFFFAOYSA-N
MW1847.79 g/mol
LogP20.79
Rot. Bonds28

About 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide

2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide (PubChem CID 161333522) has the molecular formula C93H86F12N16O12 and a molecular weight of 1847.79 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide
PubChem CID161333522
Molecular FormulaC93H86F12N16O12
Molecular Weight1847.79 g/mol
Exact Mass1846.64
IUPAC Name2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide
SMILESCC(C)(C)C(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)ncn1.CC(C)C(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)ncn1.CC(C)C(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1.CCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1
InChIInChI=1S/C24H23F3N4O3.3C23H21F3N4O3/c1-23(2,3)22(33)31-19-13-21(29-14-28-19)34-18-10-8-17(9-11-18)30-20(32)12-15-4-6-16(7-5-15)24(25,26)27;1-14(2)22(32)30-19-12-21(28-13-27-19)33-18-9-7-17(8-10-18)29-20(31)11-15-3-5-16(6-4-15)23(24,25)26;1-14(2)22(32)30-19-12-21(28-13-27-19)33-18-8-6-17(7-9-18)29-20(31)11-15-4-3-5-16(10-15)23(24,25)26;1-2-4-20(31)30-19-13-22(28-14-27-19)33-18-9-7-17(8-10-18)29-21(32)12-15-5-3-6-16(11-15)23(24,25)26/h4-11,13-14H,12H2,1-3H3,(H,30,32)(H,28,29,31,33);2*3-10,12-14H,11H2,1-2H3,(H,29,31)(H,27,28,30,32);3,5-11,13-14H,2,4,12H2,1H3,(H,29,32)(H,27,28,30,31)
InChIKeyVLSQNINIVXGBIP-UHFFFAOYSA-N
XLogP20.79
TPSA372.84 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001847.79
LogP ≤ 520.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide with MolForge

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Related Compounds

2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-N-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]acetamide
CID 127049857
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-naphthalen-1-ylacetamide
CID 141526993
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 141527036
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 141527037
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide
CID 141527057
Chmfl-flt3-335
CID 141527071
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-naphthalen-2-ylacetamide
CID 141527095
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(4-phenylphenyl)acetamide
CID 141527111
1-(4-(6-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)urea
CID 11569893
3-[6-(2-Fluoro-4-{3-[2-(4-fluorophenyl)acetyl]ureido}phenoxy)pyrimidin-4-yl]-1,1-dimethylurea
CID 23153547
4-(4-Methylpiperazin-1-yl)piperidine-1-carboxylic acid {6-[2-fluoro-4-(3-phenylacetylthioureido)phenoxy]pyrimidin-4-yl}amide
CID 57677399
N-[6-[4-[[2-(4-fluorophenyl)acetyl]carbamothioylamino]phenoxy]pyrimidin-4-yl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 57677424

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide (CID 161333522) is 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide is CC(C)(C)C(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)ncn1.CC(C)C(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)ncn1.CC(C)C(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1.CCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1.
What is the InChIKey of 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide?
The InChIKey is VLSQNINIVXGBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3.3C23H21F3N4O3/c1-23(2,3)22(33)31-19-13-21(29-14-28-19)34-18-10-8-17(9-11-18)30-20(32)12-15-4-6-16(7-5-15)24(25,26)27;1-14(2)22(32)30-19-12-21(28-13-27-19)33-18-9-7-17(8-10-18)29-20(31)11-15-3-5-16(6-4-15)23(24,25)26;1-14(2)22(32)30-19-12-21(28-13-27-19)33-18-8-6-17(7-9-18)29-20(31)11-15-4-3-5-16(10-15)23(24,25)26;1-2-4-20(31)30-19-13-22(28-14-27-19)33-18-9-7-17(8-10-18)29-21(32)12-15-5-3-6-16(11-15)23(24,25)26/h4-11,13-14H,12H2,1-3H3,(H,30,32)(H,28,29,31,33);2*3-10,12-14H,11H2,1-2H3,(H,29,31)(H,27,28,30,32);3,5-11,13-14H,2,4,12H2,1H3,(H,29,32)(H,27,28,30,31).
What are the key properties of 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide?
2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide has a molecular weight of 1847.79 g/mol, XLogP of 20.79, 28 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;2-methyl-N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]butanamide is sourced from PubChem (CID 161333522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).