2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide

C14H13ClFN3O — CID 71978030

IUPAC2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1cc(NCc2ccc(Cl)nc2)c(C(N)=O)cc1F
InChIInChI=1S/C14H13ClFN3O/c1-8-4-12(10(14(17)20)5-11(8)16)18-6-9-2-3-13(15)19-7-9/h2-5,7,18H,6H2,1H3,(H2,17,20)
InChIKeyZNIYXDKJPZWTFZ-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.89
Rot. Bonds4

About 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide

2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide (PubChem CID 71978030) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide
PubChem CID71978030
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1cc(NCc2ccc(Cl)nc2)c(C(N)=O)cc1F
InChIInChI=1S/C14H13ClFN3O/c1-8-4-12(10(14(17)20)5-11(8)16)18-6-9-2-3-13(15)19-7-9/h2-5,7,18H,6H2,1H3,(H2,17,20)
InChIKeyZNIYXDKJPZWTFZ-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide 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

CID 213013
CID 213013
CID 9797919
CID 9797919
CID 9903497
CID 9903497
CID 5121684
CID 5121684
CID 587129
CID 587129
CID 771964
CID 771964
CID 84517
CID 84517
CID 67120985
CID 67120985
CID 3780776
CID 3780776
CID 4314115
CID 4314115
CID 6398883
CID 6398883
CID 279880
CID 279880

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide (CID 71978030) is 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide is Cc1cc(NCc2ccc(Cl)nc2)c(C(N)=O)cc1F.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is ZNIYXDKJPZWTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-8-4-12(10(14(17)20)5-11(8)16)18-6-9-2-3-13(15)19-7-9/h2-5,7,18H,6H2,1H3,(H2,17,20).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide?
2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 293.73 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 71978030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).