4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide

C19H15ClFN3O — CID 109219361

IUPAC4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(Nc2ccc(F)c(Cl)c2)ccn1)c1ccccc1
InChIInChI=1S/C19H15ClFN3O/c1-24(15-5-3-2-4-6-15)19(25)18-12-14(9-10-22-18)23-13-7-8-17(21)16(20)11-13/h2-12H,1H3,(H,22,23)
InChIKeySNPHYPSGKWWXOX-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.89
Rot. Bonds4

About 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide

4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 109219361) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
PubChem CID109219361
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(Nc2ccc(F)c(Cl)c2)ccn1)c1ccccc1
InChIInChI=1S/C19H15ClFN3O/c1-24(15-5-3-2-4-6-15)19(25)18-12-14(9-10-22-18)23-13-7-8-17(21)16(20)11-13/h2-12H,1H3,(H,22,23)
InChIKeySNPHYPSGKWWXOX-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091494
4-(2,3-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219411
4-N-(4-chlorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091489
4-(3-chloro-4-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109215038
4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220308
4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219346
1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209092
N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213670
5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632
N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220315
N-(3-fluorophenyl)-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248954
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide (CID 109219361) is 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide is CN(C(=O)c1cc(Nc2ccc(F)c(Cl)c2)ccn1)c1ccccc1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The InChIKey is SNPHYPSGKWWXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-24(15-5-3-2-4-6-15)19(25)18-12-14(9-10-22-18)23-13-7-8-17(21)16(20)11-13/h2-12H,1H3,(H,22,23).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109219361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).