N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide

C14H11ClF2N2O — CID 115496956

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cccc(F)n1
InChIInChI=1S/C14H11ClF2N2O/c1-19(8-9-10(15)4-2-5-11(9)16)14(20)12-6-3-7-13(17)18-12/h2-7H,8H2,1H3
InChIKeyXIUMFCPLEQYIHF-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.29
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 115496956) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID115496956
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cccc(F)n1
InChIInChI=1S/C14H11ClF2N2O/c1-19(8-9-10(15)4-2-5-11(9)16)14(20)12-6-3-7-13(17)18-12/h2-7H,8H2,1H3
InChIKeyXIUMFCPLEQYIHF-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 4878432
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18090221
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 16605035
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497103
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60628551

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide (CID 115496956) is N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(F)n1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is XIUMFCPLEQYIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-19(8-9-10(15)4-2-5-11(9)16)14(20)12-6-3-7-13(17)18-12/h2-7H,8H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 296.70 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115496956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).