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'}

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Related Compounds

2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline
CID 163207536
1-[(6-chloro-3-pyridinyl)methyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853682
2-[4-[(6-chloro-3-pyridinyl)methylamino]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 75376703
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371
CID 87764208
CID 87764208
6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
CID 58440060
4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821854
2-[(3-fluoro-4-methylphenyl)methylamino]-5-nitropyridine-3-carboxamide
CID 78862249
6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 58450631
methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821857
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715

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).