N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide

C19H15Cl2N3O — CID 113022321

IUPACN-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Nc3cc(Cl)cc(Cl)c3)nc2)c1
InChIInChI=1S/C19H15Cl2N3O/c1-12-3-2-4-13(7-12)19(25)24-16-5-6-18(22-11-16)23-17-9-14(20)8-15(21)10-17/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyJUXQYOKSHADGOK-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.69
Rot. Bonds4

About N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide

N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide (PubChem CID 113022321) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
PubChem CID113022321
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC NameN-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Nc3cc(Cl)cc(Cl)c3)nc2)c1
InChIInChI=1S/C19H15Cl2N3O/c1-12-3-2-4-13(7-12)19(25)24-16-5-6-18(22-11-16)23-17-9-14(20)8-15(21)10-17/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyJUXQYOKSHADGOK-UHFFFAOYSA-N
XLogP5.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
N-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021470
N-[6-(cyclopropylamino)-3-pyridinyl]-3-methylbenzamide
CID 115268637
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021502
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113018532
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
6-(3,5-dichloroanilino)-N-phenylpyridine-3-carboxamide
CID 109162127
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017754

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide (CID 113022321) is N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Nc3cc(Cl)cc(Cl)c3)nc2)c1.
What is the InChIKey of N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide?
The InChIKey is JUXQYOKSHADGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c1-12-3-2-4-13(7-12)19(25)24-16-5-6-18(22-11-16)23-17-9-14(20)8-15(21)10-17/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide?
N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide has a molecular weight of 372.26 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 113022321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).