N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide

C20H16F3N5O3 — CID 11201276

IUPACN-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1
InChIInChI=1S/C20H16F3N5O3/c1-12(29)26-17-10-18(25-11-24-17)31-16-7-5-14(6-8-16)27-19(30)28-15-4-2-3-13(9-15)20(21,22)23/h2-11H,1H3,(H2,27,28,30)(H,24,25,26,29)
InChIKeyYIXJIOOQSSSYGU-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.89
Rot. Bonds5

About N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide

N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide (PubChem CID 11201276) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide
PubChem CID11201276
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC NameN-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1
InChIInChI=1S/C20H16F3N5O3/c1-12(29)26-17-10-18(25-11-24-17)31-16-7-5-14(6-8-16)27-19(30)28-15-4-2-3-13(9-15)20(21,22)23/h2-11H,1H3,(H2,27,28,30)(H,24,25,26,29)
InChIKeyYIXJIOOQSSSYGU-UHFFFAOYSA-N
XLogP4.89
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ast-487
CID 11409972
N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 50997674
1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
N-((4-((2-aminopyridin-4-yl)oxy)-3-fluorophenyl)carbamoyl)-2-(4-fluorophenyl)acetamide
CID 17748441
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
2,4-Bis anilino pyrimidine deriv. 12
CID 6538995
1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea
CID 11260561
Type II inhibitor, 5
CID 16061468
1-[3-Methyl-4-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
CID 25113168
Nvp-bbt594
CID 59596344
(2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
CID 448994
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 44433472

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide (CID 11201276) is N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ncn1.
What is the InChIKey of N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide?
The InChIKey is YIXJIOOQSSSYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c1-12(29)26-17-10-18(25-11-24-17)31-16-7-5-14(6-8-16)27-19(30)28-15-4-2-3-13(9-15)20(21,22)23/h2-11H,1H3,(H2,27,28,30)(H,24,25,26,29).
What are the key properties of N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide?
N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide has a molecular weight of 431.37 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 11201276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).