N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide

C14H12F4N4O — CID 36723676

IUPACN-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H12F4N4O/c1-22(13-19-6-5-11(21-13)14(16,17)18)8-12(23)20-10-4-2-3-9(15)7-10/h2-7H,8H2,1H3,(H,20,23)
InChIKeyPZCYVNXVFNSGLV-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.71
Rot. Bonds4

About N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide

N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (PubChem CID 36723676) has the molecular formula C14H12F4N4O and a molecular weight of 328.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
PubChem CID36723676
Molecular FormulaC14H12F4N4O
Molecular Weight328.27 g/mol
Exact Mass328.09
IUPAC NameN-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H12F4N4O/c1-22(13-19-6-5-11(21-13)14(16,17)18)8-12(23)20-10-4-2-3-9(15)7-10/h2-7H,8H2,1H3,(H,20,23)
InChIKeyPZCYVNXVFNSGLV-UHFFFAOYSA-N
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide
CID 17392065
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 86780450
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8676287
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
2-[(1-chlorocyclopropyl)methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 166265170

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (CID 36723676) is N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is CN(CC(=O)Nc1cccc(F)c1)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The InChIKey is PZCYVNXVFNSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O/c1-22(13-19-6-5-11(21-13)14(16,17)18)8-12(23)20-10-4-2-3-9(15)7-10/h2-7H,8H2,1H3,(H,20,23).
What are the key properties of N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide has a molecular weight of 328.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 36723676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).