3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide

C14H10Cl2FN3O3S — CID 13381341

IUPAC3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CC(=O)c1cccc(F)c1NC(=O)C(Cl)Cl)Nc1nccs1
InChIInChI=1S/C14H10Cl2FN3O3S/c15-12(16)13(23)20-11-7(2-1-3-8(11)17)9(21)6-10(22)19-14-18-4-5-24-14/h1-5,12H,6H2,(H,20,23)(H,18,19,22)
InChIKeyRKEOCBIBRGXJFO-UHFFFAOYSA-N
MW390.22 g/mol
LogP3.24
Rot. Bonds6

About 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide

3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 13381341) has the molecular formula C14H10Cl2FN3O3S and a molecular weight of 390.22 g/mol. Its IUPAC name is 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide
PubChem CID13381341
Molecular FormulaC14H10Cl2FN3O3S
Molecular Weight390.22 g/mol
Exact Mass388.98
IUPAC Name3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CC(=O)c1cccc(F)c1NC(=O)C(Cl)Cl)Nc1nccs1
InChIInChI=1S/C14H10Cl2FN3O3S/c15-12(16)13(23)20-11-7(2-1-3-8(11)17)9(21)6-10(22)19-14-18-4-5-24-14/h1-5,12H,6H2,(H,20,23)(H,18,19,22)
InChIKeyRKEOCBIBRGXJFO-UHFFFAOYSA-N
XLogP3.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide 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

2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate
CID 3407042
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108511411
(Z)-3-[2-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]-3-hydroxy-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 54696160
2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
CID 61187315
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
2-[(2,2-dichloroacetyl)amino]-3-oxo-N-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 88696270
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
N-(1,3-thiazol-2-yl)-2-(2,4,6-trifluorophenyl)acetamide
CID 110487515

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide (CID 13381341) is 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide is O=C(CC(=O)c1cccc(F)c1NC(=O)C(Cl)Cl)Nc1nccs1.
What is the InChIKey of 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RKEOCBIBRGXJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O3S/c15-12(16)13(23)20-11-7(2-1-3-8(11)17)9(21)6-10(22)19-14-18-4-5-24-14/h1-5,12H,6H2,(H,20,23)(H,18,19,22).
What are the key properties of 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide?
3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 390.22 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,2-dichloroacetyl)amino]-3-fluorophenyl]-3-oxo-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 13381341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).