N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide

C16H11ClF3NO2 — CID 108742241

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H11ClF3NO2/c17-8-1-4-13-10(7-8)12(5-6-23-13)21-16(22)9-2-3-11(18)15(20)14(9)19/h1-4,7,12H,5-6H2,(H,21,22)
InChIKeyDWAFTBGOEOEZRX-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.01
Rot. Bonds2

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide (PubChem CID 108742241) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
PubChem CID108742241
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H11ClF3NO2/c17-8-1-4-13-10(7-8)12(5-6-23-13)21-16(22)9-2-3-11(18)15(20)14(9)19/h1-4,7,12H,5-6H2,(H,21,22)
InChIKeyDWAFTBGOEOEZRX-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide 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

4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide
CID 108742234
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
CID 110751620
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108764701
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
CID 108742175
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797756

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide (CID 108742241) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide is O=C(NC1CCOc2ccc(Cl)cc21)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide?
The InChIKey is DWAFTBGOEOEZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c17-8-1-4-13-10(7-8)12(5-6-23-13)21-16(22)9-2-3-11(18)15(20)14(9)19/h1-4,7,12H,5-6H2,(H,21,22).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide has a molecular weight of 341.72 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 108742241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).