N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide

C19H16F3N5O — CID 112905461

IUPACN-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)c1
InChIInChI=1S/C19H16F3N5O/c1-12(28)24-13-5-4-6-14(11-13)25-18-23-10-9-17(27-18)26-16-8-3-2-7-15(16)19(20,21)22/h2-11H,1H3,(H,24,28)(H2,23,25,26,27)
InChIKeyMLZJUCLEEAZQBB-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.94
Rot. Bonds5

About N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide

N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112905461) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112905461
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC NameN-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)c1
InChIInChI=1S/C19H16F3N5O/c1-12(28)24-13-5-4-6-14(11-13)25-18-23-10-9-17(27-18)26-16-8-3-2-7-15(16)19(20,21)22/h2-11H,1H3,(H,24,28)(H2,23,25,26,27)
InChIKeyMLZJUCLEEAZQBB-UHFFFAOYSA-N
XLogP4.94
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905459
N-[4-[[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905487
2-N-(3-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903722
methyl 2-[[2-(3-acetamidoanilino)pyrimidin-4-yl]amino]benzoate
CID 112905761
3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 112905475
2-N-(4-methoxyphenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112904768
2-N-(4-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903814
methyl 2-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzoate
CID 112905463
4-N-(3,4-dimethylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902557
1-[3-[[5-[2-(trifluoromethyl)anilino]-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112968154
N-[3-[[2-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112903173
1-[3-[[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905528

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide (CID 112905461) is N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is MLZJUCLEEAZQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-12(28)24-13-5-4-6-14(11-13)25-18-23-10-9-17(27-18)26-16-8-3-2-7-15(16)19(20,21)22/h2-11H,1H3,(H,24,28)(H2,23,25,26,27).
What are the key properties of N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 387.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112905461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).