N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide

C20H18FN3O — CID 18419487

IUPACN-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)c(C)c1
InChIInChI=1S/C20H18FN3O/c1-13-7-9-18(14(2)11-13)24-19-10-8-15(12-22-19)23-20(25)16-5-3-4-6-17(16)21/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyLHBMJTGLUGIJGD-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.83
Rot. Bonds4

About N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide

N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 18419487) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
PubChem CID18419487
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)c(C)c1
InChIInChI=1S/C20H18FN3O/c1-13-7-9-18(14(2)11-13)24-19-10-8-15(12-22-19)23-20(25)16-5-3-4-6-17(16)21/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyLHBMJTGLUGIJGD-UHFFFAOYSA-N
XLogP4.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 18419410
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide (CID 18419487) is N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide is Cc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)c(C)c1.
What is the InChIKey of N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is LHBMJTGLUGIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-7-9-18(14(2)11-13)24-19-10-8-15(12-22-19)23-20(25)16-5-3-4-6-17(16)21/h3-12H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 335.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 18419487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).