2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

C15H14F3N3O — CID 6900064

IUPAC2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCn1cccc1CC(=O)N/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O/c1-21-8-4-6-12(21)9-14(22)20-19-10-11-5-2-3-7-13(11)15(16,17)18/h2-8,10H,9H2,1H3,(H,20,22)/b19-10+
InChIKeySURMVQIYEDTOQN-VXLYETTFSA-N
MW309.29 g/mol
LogP2.74
Rot. Bonds4

About 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 6900064) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID6900064
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCn1cccc1CC(=O)N/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O/c1-21-8-4-6-12(21)9-14(22)20-19-10-11-5-2-3-7-13(11)15(16,17)18/h2-8,10H,9H2,1H3,(H,20,22)/b19-10+
InChIKeySURMVQIYEDTOQN-VXLYETTFSA-N
XLogP2.74
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 71966857
2-(4-methoxyphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6258756
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
2-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 5342159
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 135684764
N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide
CID 5075472
N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]octadecanamide
CID 45054433
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6146827
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 92511378
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 110525145
N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 697334
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 5395321

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 6900064) is 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is Cn1cccc1CC(=O)N/N=C/c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is SURMVQIYEDTOQN-VXLYETTFSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-21-8-4-6-12(21)9-14(22)20-19-10-11-5-2-3-7-13(11)15(16,17)18/h2-8,10H,9H2,1H3,(H,20,22)/b19-10+.
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 309.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6900064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).