N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide

C16H17F3N4O — CID 136530357

IUPACN-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNc2nc(C)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N4O/c1-3-20-14(24)12-6-4-5-11(8-12)9-21-15-22-10(2)7-13(23-15)16(17,18)19/h4-8H,3,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyMYNJKXWQRXGILI-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.17
Rot. Bonds5

About N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide

N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide (PubChem CID 136530357) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
PubChem CID136530357
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNc2nc(C)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N4O/c1-3-20-14(24)12-6-4-5-11(8-12)9-21-15-22-10(2)7-13(23-15)16(17,18)19/h4-8H,3,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyMYNJKXWQRXGILI-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
CID 133317052
N-ethyl-3-[[[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111615643
N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 71940029
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
CID 119074684
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122324641
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120970158
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?
The IUPAC name of N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide (CID 136530357) is N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide is CCNC(=O)c1cccc(CNc2nc(C)cc(C(F)(F)F)n2)c1.
What is the InChIKey of N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?
The InChIKey is MYNJKXWQRXGILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-3-20-14(24)12-6-4-5-11(8-12)9-21-15-22-10(2)7-13(23-15)16(17,18)19/h4-8H,3,9H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?
N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide has a molecular weight of 338.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 136530357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).