2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

C14H12ClFN2O — CID 60692943

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H12ClFN2O/c1-18(9-11-4-2-3-5-12(11)16)14(19)10-6-7-17-13(15)8-10/h2-8H,9H2,1H3
InChIKeyPCFVXZMTOFOAOF-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.15
Rot. Bonds3

About 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 60692943) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID60692943
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H12ClFN2O/c1-18(9-11-4-2-3-5-12(11)16)14(19)10-6-7-17-13(15)8-10/h2-8H,9H2,1H3
InChIKeyPCFVXZMTOFOAOF-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.15
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

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 55459905
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265
2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 60692835
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
methyl 2-chloropyridine-4-carboxylate;methyl 2-[(2-fluorophenyl)methyl]pyridine-4-carboxylate
CID 159589260
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide (CID 60692943) is 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide is CN(Cc1ccccc1F)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is PCFVXZMTOFOAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-18(9-11-4-2-3-5-12(11)16)14(19)10-6-7-17-13(15)8-10/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 60692943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).