N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide

C16H17F3N2O2 — CID 108934742

IUPACN-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(C=C1CCCC1)Nc1cccc(CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)20-10-12-6-3-7-13(8-12)21-14(22)9-11-4-1-2-5-11/h3,6-9H,1-2,4-5,10H2,(H,20,23)(H,21,22)
InChIKeyNZYHYADTYOCLDW-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.30
Rot. Bonds4

About N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide

N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 108934742) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID108934742
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC NameN-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(C=C1CCCC1)Nc1cccc(CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)20-10-12-6-3-7-13(8-12)21-14(22)9-11-4-1-2-5-11/h3,6-9H,1-2,4-5,10H2,(H,20,23)(H,21,22)
InChIKeyNZYHYADTYOCLDW-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]but-2-enamide
CID 108934722
2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide
CID 108924222
(E)-3,4,4-trimethyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934750
N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926549
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934541
[4-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108932233
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
2-cyano-N-[[3-[[2-(oxan-4-ylidene)acetyl]amino]phenyl]methyl]acetamide
CID 108924220
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
(E)-3-(4-chlorophenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934715
(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934709

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide (CID 108934742) is N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide is O=C(C=C1CCCC1)Nc1cccc(CNC(=O)C(F)(F)F)c1.
What is the InChIKey of N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is NZYHYADTYOCLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)20-10-12-6-3-7-13(8-12)21-14(22)9-11-4-1-2-5-11/h3,6-9H,1-2,4-5,10H2,(H,20,23)(H,21,22).
What are the key properties of N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide?
N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 326.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108934742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).