N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide

C18H11ClF3N3O — CID 113033399

IUPACN-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2)cn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H11ClF3N3O/c19-10-1-3-11(4-2-10)24-12-5-8-15(23-9-12)25-18(26)13-6-7-14(20)17(22)16(13)21/h1-9,24H,(H,23,25,26)
InChIKeyDBGXMLRKHCZVTI-UHFFFAOYSA-N
MW377.75 g/mol
LogP5.15
Rot. Bonds4

About N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide

N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide (PubChem CID 113033399) has the molecular formula C18H11ClF3N3O and a molecular weight of 377.75 g/mol. Its IUPAC name is N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
PubChem CID113033399
Molecular FormulaC18H11ClF3N3O
Molecular Weight377.75 g/mol
Exact Mass377.05
IUPAC NameN-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2)cn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H11ClF3N3O/c19-10-1-3-11(4-2-10)24-12-5-8-15(23-9-12)25-18(26)13-6-7-14(20)17(22)16(13)21/h1-9,24H,(H,23,25,26)
InChIKeyDBGXMLRKHCZVTI-UHFFFAOYSA-N
XLogP5.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(4-chloroanilino)-2-pyridinyl]-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

N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113037612
N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
CID 113033674
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912
2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902871
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023060

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide (CID 113033399) is N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide is O=C(Nc1ccc(Nc2ccc(Cl)cc2)cn1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide?
The InChIKey is DBGXMLRKHCZVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O/c19-10-1-3-11(4-2-10)24-12-5-8-15(23-9-12)25-18(26)13-6-7-14(20)17(22)16(13)21/h1-9,24H,(H,23,25,26).
What are the key properties of N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide?
N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide has a molecular weight of 377.75 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 113033399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).