N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide

C19H15ClFN3O — CID 113018688

IUPACN-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
SMILESCc1c(Cl)cccc1Nc1ccc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C19H15ClFN3O/c1-12-16(20)3-2-4-17(12)24-18-10-9-15(11-22-18)23-19(25)13-5-7-14(21)8-6-13/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyXDRFGRKTKMSGEF-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.18
Rot. Bonds4

About N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide

N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide (PubChem CID 113018688) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
PubChem CID113018688
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
SMILESCc1c(Cl)cccc1Nc1ccc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C19H15ClFN3O/c1-12-16(20)3-2-4-17(12)24-18-10-9-15(11-22-18)23-19(25)13-5-7-14(21)8-6-13/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyXDRFGRKTKMSGEF-UHFFFAOYSA-N
XLogP5.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.80
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706
N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163537
4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide
CID 113018439
6-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109163546
6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 109163558
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113017268
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021986
4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
CID 1191658
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide (CID 113018688) is N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide is Cc1c(Cl)cccc1Nc1ccc(NC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide?
The InChIKey is XDRFGRKTKMSGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-12-16(20)3-2-4-17(12)24-18-10-9-15(11-22-18)23-19(25)13-5-7-14(21)8-6-13/h2-11H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide?
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide has a molecular weight of 355.80 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 113018688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).