N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide

C14H11ClF2N2O — CID 100730621

IUPACN-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide
SMILESCc1cc(Cl)nc(CNC(=O)c2cccc(F)c2F)c1
InChIInChI=1S/C14H11ClF2N2O/c1-8-5-9(19-12(15)6-8)7-18-14(20)10-3-2-4-11(16)13(10)17/h2-6H,7H2,1H3,(H,18,20)
InChIKeyVLFMUZFMMCQDFG-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.25
Rot. Bonds3

About N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide

N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide (PubChem CID 100730621) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide
PubChem CID100730621
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC NameN-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide
SMILESCc1cc(Cl)nc(CNC(=O)c2cccc(F)c2F)c1
InChIInChI=1S/C14H11ClF2N2O/c1-8-5-9(19-12(15)6-8)7-18-14(20)10-3-2-4-11(16)13(10)17/h2-6H,7H2,1H3,(H,18,20)
InChIKeyVLFMUZFMMCQDFG-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
CID 72718413
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide?
The IUPAC name of N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide (CID 100730621) is N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide is Cc1cc(Cl)nc(CNC(=O)c2cccc(F)c2F)c1.
What is the InChIKey of N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide?
The InChIKey is VLFMUZFMMCQDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-8-5-9(19-12(15)6-8)7-18-14(20)10-3-2-4-11(16)13(10)17/h2-6H,7H2,1H3,(H,18,20).
What are the key properties of N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide?
N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide has a molecular weight of 296.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide is sourced from PubChem (CID 100730621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).