2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide

C19H14ClF3N4O — CID 77461017

IUPAC2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H14ClF3N4O/c20-13-3-1-2-12(9-13)18-26-15(19(21,22)23)10-17(27-18)25-14-6-4-11(5-7-14)8-16(24)28/h1-7,9-10H,8H2,(H2,24,28)(H,25,26,27)
InChIKeyKRRGWHSEDYQKDQ-UHFFFAOYSA-N
MW406.80 g/mol
LogP4.59
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide

2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 77461017) has the molecular formula C19H14ClF3N4O and a molecular weight of 406.80 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID77461017
Molecular FormulaC19H14ClF3N4O
Molecular Weight406.80 g/mol
Exact Mass406.08
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H14ClF3N4O/c20-13-3-1-2-12(9-13)18-26-15(19(21,22)23)10-17(27-18)25-14-6-4-11(5-7-14)8-16(24)28/h1-7,9-10H,8H2,(H2,24,28)(H,25,26,27)
InChIKeyKRRGWHSEDYQKDQ-UHFFFAOYSA-N
XLogP4.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.80
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-diphenylpyrimidin-2-yl)-3-chlorobenzamide
CID 11234532
2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
CID 74221360
2-(4-{[2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
CID 74221424
2-(2-chloro-6-fluorophenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 841917
2-(4-amino-3,5-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 145984006
2-(4-chlorophenyl)-N-(2,4-diaminoquinazolin-6-yl)acetamide
CID 600456
2,4-Pyrimidinediamine, 6-(5-chloro-2-methylphenyl)-N4-(4-(trifluoromethyl)phenyl)-
CID 10022582
4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide
CID 74221364
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)acetamide
CID 90111742
N-2,6-bis4-chlorophenyl)pyrimidin-4-yl)propionamide
CID 44203645
N-2,6-bis4-chlorophenyl)pyrimidin-4-yl)acetamide
CID 50940958
N-2,6-bis4-chlorophenyl)pyrimidin-4-yl)butyramide
CID 50940987

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide (CID 77461017) is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is KRRGWHSEDYQKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O/c20-13-3-1-2-12(9-13)18-26-15(19(21,22)23)10-17(27-18)25-14-6-4-11(5-7-14)8-16(24)28/h1-7,9-10H,8H2,(H2,24,28)(H,25,26,27).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide?
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 406.80 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 77461017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).