formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide

C15H14F3N3O4 — CID 155972799

IUPACformic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nccc(C(F)(F)F)n2)c1.O=CO
InChIInChI=1S/C14H12F3N3O2.CH2O2/c1-22-10-4-2-3-9(7-10)8-12(21)20-13-18-6-5-11(19-13)14(15,16)17;2-1-3/h2-7H,8H2,1H3,(H,18,19,20,21);1H,(H,2,3)
InChIKeyDXUDSFYTYVLWNQ-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.39
Rot. Bonds4

About formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide

formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide (PubChem CID 155972799) has the molecular formula C15H14F3N3O4 and a molecular weight of 357.29 g/mol. Its IUPAC name is formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Nameformic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide
PubChem CID155972799
Molecular FormulaC15H14F3N3O4
Molecular Weight357.29 g/mol
Exact Mass357.09
IUPAC Nameformic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nccc(C(F)(F)F)n2)c1.O=CO
InChIInChI=1S/C14H12F3N3O2.CH2O2/c1-22-10-4-2-3-9(7-10)8-12(21)20-13-18-6-5-11(19-13)14(15,16)17;2-1-3/h2-7H,8H2,1H3,(H,18,19,20,21);1H,(H,2,3)
InChIKeyDXUDSFYTYVLWNQ-UHFFFAOYSA-N
XLogP2.39
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpyrimidin-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide
CID 99842142
2,2,2-trifluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108933536
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
2-(3-methoxyphenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]acetamide
CID 51108863
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 16911522
N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586478
N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337888
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
2-(3-methoxyphenyl)-N-[4-(2-methoxy-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24831672

Frequently Asked Questions

What is the IUPAC name of formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The IUPAC name of formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide (CID 155972799) is formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide is COc1cccc(CC(=O)Nc2nccc(C(F)(F)F)n2)c1.O=CO.
What is the InChIKey of formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The InChIKey is DXUDSFYTYVLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2.CH2O2/c1-22-10-4-2-3-9(7-10)8-12(21)20-13-18-6-5-11(19-13)14(15,16)17;2-1-3/h2-7H,8H2,1H3,(H,18,19,20,21);1H,(H,2,3).
What are the key properties of formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide?
formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide has a molecular weight of 357.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 155972799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).