2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide

C15H10ClF3N2O2S — CID 5161810

IUPAC2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
SMILESO=C(CC(=NNC(=O)c1ccccc1Cl)C(F)(F)F)c1cccs1
InChIInChI=1S/C15H10ClF3N2O2S/c16-10-5-2-1-4-9(10)14(23)21-20-13(15(17,18)19)8-11(22)12-6-3-7-24-12/h1-7H,8H2,(H,21,23)
InChIKeyWOBRBAIENDQJAO-UHFFFAOYSA-N
MW374.77 g/mol
LogP4.32
Rot. Bonds5

About 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide

2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide (PubChem CID 5161810) has the molecular formula C15H10ClF3N2O2S and a molecular weight of 374.77 g/mol. Its IUPAC name is 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
PubChem CID5161810
Molecular FormulaC15H10ClF3N2O2S
Molecular Weight374.77 g/mol
Exact Mass374.01
IUPAC Name2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
SMILESO=C(CC(=NNC(=O)c1ccccc1Cl)C(F)(F)F)c1cccs1
InChIInChI=1S/C15H10ClF3N2O2S/c16-10-5-2-1-4-9(10)14(23)21-20-13(15(17,18)19)8-11(22)12-6-3-7-24-12/h1-7H,8H2,(H,21,23)
InChIKeyWOBRBAIENDQJAO-UHFFFAOYSA-N
XLogP4.32
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide 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-chloro-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]-1H-indole-2-carboxamide
CID 87270428
2-methyl-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]propanamide
CID 6116976
N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]-1-benzothiophene-2-carboxamide
CID 123536512
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
tert-butyl N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]carbamate
CID 3131610
N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide
CID 89214113
3-chloro-N-[(Z)-(4,4-difluoro-1-oxo-1-thiophen-2-ylpentan-3-ylidene)amino]-1-benzothiophene-2-carboxamide
CID 172959957
2-chloro-N'-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl)benzohydrazide
CID 3302598
2-(4-nitrophenyl)-N-[(E)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]acetamide
CID 6323013
2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide
CID 4158254
N-[2-[2-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]acetyl]phenyl]methanesulfonamide
CID 58237865
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide?
The IUPAC name of 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide (CID 5161810) is 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide?
The canonical SMILES for 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide is O=C(CC(=NNC(=O)c1ccccc1Cl)C(F)(F)F)c1cccs1.
What is the InChIKey of 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide?
The InChIKey is WOBRBAIENDQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2S/c16-10-5-2-1-4-9(10)14(23)21-20-13(15(17,18)19)8-11(22)12-6-3-7-24-12/h1-7H,8H2,(H,21,23).
What are the key properties of 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide?
2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide has a molecular weight of 374.77 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide is sourced from PubChem (CID 5161810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).