N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide

C19H15ClFN3O — CID 113033674

IUPACN-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H15ClFN3O/c1-12-4-2-3-5-15(12)19(25)24-18-9-7-14(11-22-18)23-13-6-8-17(21)16(20)10-13/h2-11,23H,1H3,(H,22,24,25)
InChIKeyXTJNUYLYPSTJJQ-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.18
Rot. Bonds4

About N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide

N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide (PubChem CID 113033674) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
PubChem CID113033674
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H15ClFN3O/c1-12-4-2-3-5-15(12)19(25)24-18-9-7-14(11-22-18)23-13-6-8-17(21)16(20)10-13/h2-11,23H,1H3,(H,22,24,25)
InChIKeyXTJNUYLYPSTJJQ-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

2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113033766
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
2-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023425
N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113033399
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023560
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-methylbenzamide
CID 886248
N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide (CID 113033674) is N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is XTJNUYLYPSTJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-12-4-2-3-5-15(12)19(25)24-18-9-7-14(11-22-18)23-13-6-8-17(21)16(20)10-13/h2-11,23H,1H3,(H,22,24,25).
What are the key properties of N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide?
N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide 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-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 113033674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).