N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide

C15H15ClN2O — CID 113262953

IUPACN-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cnc(Cl)cc2C)cc1
InChIInChI=1S/C15H15ClN2O/c1-3-11-4-6-12(7-5-11)15(19)18-13-9-17-14(16)8-10(13)2/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyOHDKSRDOBFXTIJ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.86
Rot. Bonds3

About N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide

N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide (PubChem CID 113262953) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide
PubChem CID113262953
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cnc(Cl)cc2C)cc1
InChIInChI=1S/C15H15ClN2O/c1-3-11-4-6-12(7-5-11)15(19)18-13-9-17-14(16)8-10(13)2/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyOHDKSRDOBFXTIJ-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylbenzamide
CID 107301269
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295
N-(6-chloro-4-methyl-3-pyridinyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114256390
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-(6-chloro-4-methyl-3-pyridinyl)-2,4-dihydroxybenzamide
CID 113266619
N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide
CID 50881110
N-(6-chloro-4-methyl-3-pyridinyl)-2-(3-hydroxyphenyl)acetamide
CID 113263695
CID 140748908
CID 140748908

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide (CID 113262953) is N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cnc(Cl)cc2C)cc1.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide?
The InChIKey is OHDKSRDOBFXTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-3-11-4-6-12(7-5-11)15(19)18-13-9-17-14(16)8-10(13)2/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide?
N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide has a molecular weight of 274.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide is sourced from PubChem (CID 113262953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).