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

C19H16F3N5O — CID 174733828

IUPAC2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide
SMILESNC(=O)C(Nc1nccc(Nc2cccc(C(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)13-7-4-8-14(11-13)25-15-9-10-24-18(26-15)27-16(17(23)28)12-5-2-1-3-6-12/h1-11,16H,(H2,23,28)(H2,24,25,26,27)
InChIKeyUZICRRXQINHTBO-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.88
Rot. Bonds6

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

2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide (PubChem CID 174733828) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide
PubChem CID174733828
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide
SMILESNC(=O)C(Nc1nccc(Nc2cccc(C(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)13-7-4-8-14(11-13)25-15-9-10-24-18(26-15)27-16(17(23)28)12-5-2-1-3-6-12/h1-11,16H,(H2,23,28)(H2,24,25,26,27)
InChIKeyUZICRRXQINHTBO-UHFFFAOYSA-N
XLogP3.88
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927624
2-anilino-2-[3-(trifluoromethyl)phenyl]acetamide
CID 61005725
1-[3-[[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905528
3,3-dimethyl-N-[3-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]butanamide
CID 71472549
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
1-[3-[[2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905570
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
4-N-(3-phenylpropyl)-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899308
2-N-[2-(4-methoxyphenyl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112895537
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 55598567

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide?
The IUPAC name of 2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide (CID 174733828) is 2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for 2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for 2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide is NC(=O)C(Nc1nccc(Nc2cccc(C(F)(F)F)c2)n1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide?
The InChIKey is UZICRRXQINHTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c20-19(21,22)13-7-4-8-14(11-13)25-15-9-10-24-18(26-15)27-16(17(23)28)12-5-2-1-3-6-12/h1-11,16H,(H2,23,28)(H2,24,25,26,27).
What are the key properties of 2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide?
2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide has a molecular weight of 387.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 174733828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).