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

C19H15ClFN3O — CID 113018903

IUPACN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1Cl
InChIInChI=1S/C19H15ClFN3O/c1-12-6-7-13(10-16(12)20)23-18-9-8-14(11-22-18)24-19(25)15-4-2-3-5-17(15)21/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyFDBQYTGDQDIKJH-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.18
Rot. Bonds4

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

N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 113018903) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
PubChem CID113018903
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1Cl
InChIInChI=1S/C19H15ClFN3O/c1-12-6-7-13(10-16(12)20)23-18-9-8-14(11-22-18)24-19(25)15-4-2-3-5-17(15)21/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyFDBQYTGDQDIKJH-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

N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
CID 113033674
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide (CID 113018903) is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide is Cc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is FDBQYTGDQDIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-12-6-7-13(10-16(12)20)23-18-9-8-14(11-22-18)24-19(25)15-4-2-3-5-17(15)21/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-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-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113018903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).