N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide

C18H13ClFN3O2 — CID 59672859

IUPACN-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)Nc2ccnc(Cl)c2)cc1F
InChIInChI=1S/C18H13ClFN3O2/c1-25-15-3-2-7-22-17(15)13-5-4-11(9-14(13)20)18(24)23-12-6-8-21-16(19)10-12/h2-10H,1H3,(H,21,23,24)
InChIKeyJZHPBJSNATYRMA-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.20
Rot. Bonds4

About N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide

N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide (PubChem CID 59672859) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide
PubChem CID59672859
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC NameN-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)Nc2ccnc(Cl)c2)cc1F
InChIInChI=1S/C18H13ClFN3O2/c1-25-15-3-2-7-22-17(15)13-5-4-11(9-14(13)20)18(24)23-12-6-8-21-16(19)10-12/h2-10H,1H3,(H,21,23,24)
InChIKeyJZHPBJSNATYRMA-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide (CID 59672859) is N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide is COc1cccnc1-c1ccc(C(=O)Nc2ccnc(Cl)c2)cc1F.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide?
The InChIKey is JZHPBJSNATYRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-25-15-3-2-7-22-17(15)13-5-4-11(9-14(13)20)18(24)23-12-6-8-21-16(19)10-12/h2-10H,1H3,(H,21,23,24).
What are the key properties of N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide?
N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide has a molecular weight of 357.77 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-3-fluoro-4-(3-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 59672859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).